Tootfinder

Consistent Second-Order Treatment of Spin-Orbit Coupling and Dynamic Correlation in Quasidegenerate N-Electron Valence Perturbation Theory
Rajat Majumder, Alexander Yu. Sokolov
https://arxiv.org/abs/2404.04716

Consistent Second-Order Treatment of Spin-Orbit Coupling and Dynamic Correlation in Quasidegenerate N-Electron Valence Perturbation Theory
We present a formulation and implementation of second-order quasidegenerate N-electron valence perturbation theory (QDNEVPT2) that provides a balanced and accurate description of spin-orbit coupling and dynamic correlation effects in multiconfigurational electronic states. In our approach, the energies and wavefunctions of electronic states are computed by treating electron repulsion and spin-orbit coupling operators as equal perturbations to the non-relativistic complete active-space wavefunct…

This https://arxiv.org/abs/2405.00322 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_csIR_…

Characterizing Information Seeking Processes with Multiple Physiological Signals
Information access systems are getting complex, and our understanding of user behavior during information seeking processes is mainly drawn from qualitative methods, such as observational studies or surveys. Leveraging the advances in sensing technologies, our study aims to characterize user behaviors with physiological signals, particularly in relation to cognitive load, affective arousal, and valence. We conduct a controlled lab study with 26 participants, and collect data including Electrode…

This https://arxiv.org/abs/2311.04469 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Kekulé valence bond order in the Hubbard model on the honeycomb lattice with possible lattice distortions for graphene
We investigate if and how the valence-bond-solid (VBS) state emerges in the Hubbard model on the honeycomb lattice when the Peierls-type electron-lattice coupling is introduced. We consider all possible lattice-distortion patterns allowed for this lattice model for graphene which preserve the reflection symmetry and determine the most stable configuration in the adiabatic limit by using an unbiased quantum Monte Carlo method. The VBS phase with Kekulé dimerization is found to appear as an inte…

By making a series of cuts and folds in a sheet of paper, Baker found she could produce two planes connected by a complex set of thin strips. Without the need for any adhesive like glue or tape, this pattern created a surface that was thick but lightweight. Baker named her creation Spin-Valence. Structural tests later showed that an individual tile made this way, and rendered in steel, can bear more than a thousand times its own weight.

This architect is cutting up materials to make them stronger and lighter
Emily Baker hopes her designs can make it cheaper and easier to build stuff in disaster zones or outer space.

Two dimensional semiconductors: optical and electronic properties
Roberto Rosati, Ioannis Paradisanos, Ermin Malic, Bernhard Urbaszek
https://arxiv.org/abs/2405.04222

Two dimensional semiconductors: optical and electronic properties
In the last decade atomically thin 2D materials have emerged as a perfect platform for studying and tuning light-matter interaction and electronic properties in nanostructures. The optoelectronic properties in layered materials such as transition-metal-dichalcogenides (TMDs) are governed by excitons, Coulomb bound electron-hole pairs, even at room temperature. The energy, wave function extension, spin and valley properties of optically excited conduction electrons and valence holes are controll…

2HCDL: Holistic Human-Centered Development Lifecycle
Said Daoudagh (CNR-ISTI, Pisa, Italy), Eda Marchetti (CNR-ISTI, Pisa, Italy), Oum-El-Kheir Aktouf (Univ. Grenoble Alpes, Grenoble INP, LCIS, Valence, France)
https://arxiv.org/abs/2405.01566

2HCDL: Holistic Human-Centered Development Lifecycle
The recent events affecting global society continuously highlight the need to change the development lifecycle of complex systems by promoting human-centered solutions that increase awareness and ensure critical properties such as security, safety, trust, transparency, and privacy. This fast abstract introduces the Holistic Human-Centered Development Lifecycle (2HCDL) methodology focused on: (i) the enforcement of human values and properties and (ii) the mitigation and prevention of critical is…

$B$-meson semileptonic decays from highly improved staggered quarks
Andrew Lytle, Carleton DeTar, Aida El-Khadra, Elvira G\'amiz, Steven Gottlieb, William Jay, Andreas Kronfeld, Jack Laiho, James Simone, Alejandro Vaquero
https://arxiv.org/abs/2403.03959

$B$-meson semileptonic decays from highly improved staggered quarks
We present an update for results on $B$-meson semileptonic decays using the highly improved staggered quark (HISQ) action for both valence and 2+1+1 sea quarks. The use of the highly improved action, combined with the MILC collaboration's gauge ensembles with lattice spacings down to $\sim$0.03 fm, allows the $b$ quark to be treated with the same discretization as the lighter quarks. The talk will focus on updated results for $B_{(s)} \to D_{(s)}$, $B_{(s)} \to K$ scalar and vector form factors.

Cluster radioactivity preformation probability of trans-lead nuclei in the scheme of NpNn
Lin-Jing Qi, Dong-Meng Zhang, Song Luo, Gui-Qing Zhang, Peng-Cheng Chu, Xi-Jun Wu, Xiao-Hua Li
https://arxiv.org/abs/2403.04450

Cluster radioactivity preformation probability of trans-lead nuclei in the scheme of NpNn
In the present work, the cluster radioactivity preformation probability Pc in the scheme of NpNn for the effective number of the valence particles (holes) in trans-lead nuclei has been systematically investigated. This quantity has been explored in the simplified parametrization of NpNn as well as the multiplication NpNnI of this product with the isospin asymmetry I. The calculations for Pc are both performed in microscopic and model-dependent way. Within the microscopic approach, based on our …

QCD analysis of valence structure functions using deep inelastic lepton-nucleon scattering
Javad Shahrzad, Ali Khorramian
https://arxiv.org/abs/2405.02254 …

This https://arxiv.org/abs/2311.12209 has been replaced.
initial toot: https://mastoxiv.page/@ar…

Comparing self-consistent GW and vertex corrected G0W0 (G0W0Γ) accuracy for molecular ionization potentials
We test the performance of self-consistent GW and several representative implementations of vertex corrected G0W0 (G0W0Γ). These approaches are tested on benchmark data sets covering full valence spectra (first ionization potentials and some inner valence shell excitations). For small molecules, when comparing against state of the art wave function techniques, our results show that performing full self-consistency in the GW scheme either systematically outperforms vertex corrected G0W0 or give…

Measurement of Spin-Polarized Photoemission from Wurtzite and Zinc-Blende Gallium Nitride Photocathodes
S. J. Levenson, M. B. Andorf, B. D. Dickensheets, I. V. Bazarov, A. Galdi, J. Encomendero, V. V. Protasenko, D. Jena, H. G. Xing, J. M. Maxson
https://arxiv.org/abs/2405.04481

Measurement of Spin-Polarized Photoemission from Wurtzite and Zinc-Blende Gallium Nitride Photocathodes
Spin-polarized photoemission from wurtzite and zinc-blende gallium nitride (GaN) photocathodes has been observed and measured for the first time. The p-doped GaN photocathodes were epitaxially grown and activated to negative electron affinity (NEA) with a cesium monolayer deposited on their surfaces. A field-retarding Mott polarimeter was used to measure the spin-polarization of electrons photoemitted from the top of the valence band. A spectral scan with a tunable optical parametric amplifier …

SU($\pmb N$) Kondo-Heisenberg chain: Phase diagram, Ising criticality, and the coexistence of heavy quasiparticles and valence bond solid order
Marcin Raczkowski, Fakher F. Assaad
https://arxiv.org/abs/2403.03694

SU($\pmb N$) Kondo-Heisenberg chain: Phase diagram, Ising criticality, and the coexistence of heavy quasiparticles and valence bond solid order
We map out the ground state phase diagram of a one-dimensional SU($N$) Kondo-Heisenberg lattice model at half filling and in the fully antisymmetric self-adjoint representation as a function of $\tfrac {1}{N}$ and Kondo coupling $J_k/t$. On the basis of auxiliary field quantum Monte Carlo (QMC) simulations with even $N$ up to 8, we show that the enlarged SU($N\ge 4$) symmetry realizes a quantum phase transition separating a valence bond solid (VBS) phase occupying a weak coupling part of the ph…

Magnetothermopower of nodal line semimetals
Poulomi Chakraborty, Aaron Hui, Grigory Bednik, Brian Skinner
https://arxiv.org/abs/2403.03084 https://<…

Magnetothermopower of nodal line semimetals
The search for materials with large thermopower is of great practical interest. Dirac and Weyl semimetals have recently proven to exhibit superior thermoelectric properties, particularly when subjected to a quantizing magnetic field. Here we consider whether a similar enhancement arises in nodal line semimetals, for which the conduction and valence band meet at a line or ring in momentum space. We compute the Seebeck and Nernst coefficients for arbitrary temperature and magnetic field and we fi…

Cluster radioactivity preformation probability of trans-lead nuclei in the scheme of NpNn
Lin-Jing Qi, Dong-Meng Zhang, Song Luo, Gui-Qing Zhang, Peng-Cheng Chu, Xi-Jun Wu, Xiao-Hua Li
https://arxiv.org/abs/2403.04450

Cluster radioactivity preformation probability of trans-lead nuclei in the scheme of NpNn
In the present work, the cluster radioactivity preformation probability Pc in the scheme of NpNn for the effective number of the valence particles (holes) in trans-lead nuclei has been systematically investigated. This quantity has been explored in the simplified parametrization of NpNn as well as the multiplication NpNnI of this product with the isospin asymmetry I. The calculations for Pc are both performed in microscopic and model-dependent way. Within the microscopic approach, based on our …

The 6th Affective Behavior Analysis in-the-wild (ABAW) Competition
Dimitrios Kollias, Panagiotis Tzirakis, Alan Cowen, Stefanos Zafeiriou, Chunchang Shao, Guanyu Hu
https://arxiv.org/abs/2402.19344

The 6th Affective Behavior Analysis in-the-wild (ABAW) Competition
This paper describes the 6th Affective Behavior Analysis in-the-wild (ABAW) Competition, which is part of the respective Workshop held in conjunction with IEEE CVPR 2024. The 6th ABAW Competition addresses contemporary challenges in understanding human emotions and behaviors, crucial for the development of human-centered technologies. In more detail, the Competition focuses on affect related benchmarking tasks and comprises of five sub-challenges: i) Valence-Arousal Estimation (the target is to…

Intriguing aspects of light baryon resonances
K. P. Khemchandani, A. Martinez Torres, Sang-Ho Kim, Seung-il Nam, A. Hosaka, H. Nagahiro
https://arxiv.org/abs/2405.02116

Intriguing aspects of light baryon resonances
We discuss that some light baryon resonances exhibit properties which cannot be described when attributing a three-valence quark structure to them. Besides pointing out the hadron resonances which clearly require description beyond the quark model, we focus on the third $s_{11},~ N^*$ state and its decay to final states consisting of the lightest hyperon resonances which have a partial width comparable to that for the decay to $πN$. Such properties of the mentioned nucleon resonance get manife…

This https://arxiv.org/abs/2309.13630 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Absence of spin liquid phase in the $J_1-J_2$ Heisenberg model on the square lattice
We perform an in-depth investigation of the phase diagram of the $J_1-J_2$ Heisenberg model on the square lattice. We take advantage of Density Matrix Renormalization Group and Fully-Augmented Matrix Product States methods and reach unprecedented accuracy with large bond dimensions. We utilize excited-level crossing analysis to pinpoint the phase transition points. It was believed before that there exists a narrow spin liquid phase sandwiched by the Néel antiferromagnetic (AFM) and valence bon…

This https://arxiv.org/abs/2310.19517 has been replaced.
initial toot: https://mastoxiv.page/@…

Effective interaction between guest charges immersed in 2D jellium
The model under study is an infinite 2D jellium of pointlike particles with elementary charge $e$, interacting via the logarithmic potential and in thermal equilibrium at the inverse temperature $β$. Two cases of the coupling constant $Γ\equiv βe^2$ are considered: the Debye-Hückel limit $Γ\to 0$ and the free-fermion point $Γ=2$. In the most general formulation, two guest particles, the one with charge $q e$ (the valence $q$ being an arbitrary integer) and the hard core of radius $σ>0$ a…

Semantic Goodhart's Law: as a descriptive concept becomes prescriptive, its meaning starts to blur and expand, eventually becoming an empty placeholder for "good". In advanced stages its valence flips and eliminativism arises.
cf. rigorous, formal, optimal, causal, mechanistic

Accurate and precise quantum computation of valence two-neutron systems
Sota Yoshida, Takeshi Sato, Takumi Ogata, Tomoya Naito, Masaaki Kimura
https://arxiv.org/abs/2404.01694

Accurate and precise quantum computation of valence two-neutron systems
Developing methods to solve nuclear many-body problems with quantum computers is an imperative pursuit within the nuclear physics community. Here, we introduce a quantum algorithm to accurately and precisely compute the ground state of valence two-neutron systems leveraging presently available Noisy Intermediate-Scale Quantum devices. Our focus lies on the nuclei having a doubly-magic core plus two valence neutrons in the $ p $, $ sd $, and $ pf $ shells, i.e. ${}^6$He, ${}^{18}$O, and ${}^{42}…

Diffusion, viscosity and linear rheology of valence-limited disordered fluids
Samuel S. Gomez, Lorenzo Rovigatti
https://arxiv.org/abs/2403.12665 https://<…

Diffusion, viscosity and linear rheology of valence-limited disordered fluids
We numerically investigate the dynamics and linear rheology of disordered systems made of patchy particles, focussing on the role of valence, temperature and bonding mechanism. We demonstrate that the dynamics is enslaved to bonding, giving rise to an activated behaviour at low temperature. By independently computing the diffusion constant and the viscosity from the simulations, we also confirm the validity of the Stokes-Einstein relation in valence-limited systems, with two caveats: (i) the di…

Probing the band splitting near the {\Gamma} point in the van der Waals magnetic semiconductor CrSBr
Kaiman Lin, Yi Li, Mahdi Ghorbani-Asl, Zdenek Sofer, Stephan Winnerl, Artur Erbe, Arkady V. Krasheninnikov, Manfred Helm, Shengqiang Zhou, Yaping Dan, Slawomir Prucnal
https://arxiv.org/abs/2404.02927

Probing the band splitting near the Γ point in the van der Waals magnetic semiconductor CrSBr
This study investigates the electronic band structure of Chromium Sulfur Bromide (CrSBr) through comprehensive photoluminescence (PL) characterization. We clearly identify low-temperature optical transitions between two closely adjacent conduction-band states and two different valence-band states. The analysis of the PL data robustly unveils energy splittings, bandgaps and excitonic transitions across different thicknesses of CrSBr, ranging from monolayer to bulk. Temperature-dependent PL measu…

Characterizing Information Seeking Processes with Multiple Physiological Signals
Kaixin Ji, Danula Hettiachchi, Flora D. Salim, Falk Scholer, Damiano Spina
https://arxiv.org/abs/2405.00322

Characterizing Information Seeking Processes with Multiple Physiological Signals
Information access systems are getting complex, and our understanding of user behavior during information seeking processes is mainly drawn from qualitative methods, such as observational studies or surveys. Leveraging the advances in sensing technologies, our study aims to characterize user behaviors with physiological signals, particularly in relation to cognitive load, affective arousal, and valence. We conduct a controlled lab study with 26 participants, and collect data including Electrode…

Emotional Voice Messages (EMOVOME) database: emotion recognition in spontaneous voice messages
Luc\'ia G\'omez Zaragoz\'aHUMAN-tech Institute, Universitat Polit\`enica de Val\`encia, Valencia, Spain, Roc\'io del AmorHUMAN-tech Institute, Universitat Polit\`enica de Val\`encia, Valencia, Spain, Elena Parra VargasHUMAN-tech Institute, Universitat Polit\`enica de Val\`encia, Valencia, Spain, Valery NaranjoHUMAN-tech Institute, Universitat Polit\`enica de Val\`encia, Valenc…

Emotional Voice Messages (EMOVOME) database: emotion recognition in spontaneous voice messages
Emotional Voice Messages (EMOVOME) is a spontaneous speech dataset containing 999 audio messages from real conversations on a messaging app from 100 Spanish speakers, gender balanced. Voice messages were produced in-the-wild conditions before participants were recruited, avoiding any conscious bias due to laboratory environment. Audios were labeled in valence and arousal dimensions by three non-experts and two experts, which were then combined to obtain a final label per dimension. The experts …

This https://arxiv.org/abs/2310.02184 has been replaced.
initial toot: https://mastoxiv.page/@a…

Electronic structure in a rare-earth based nodal-line semimetal candidate PrSbTe
Nodal line semimetals feature topologically protected band crossings between the bulk valence and conduction bands that extend along a finite dimension in the form of a line or a loop. While ZrSiS and similar materials have attracted extensive research as hosts for the nodal line semimetallic phase, an alternative avenue has emerged in the form of isostructural rare-earth (RE) based RESbTe materials. Such systems possess intriguing potentialities for harboring elements of magnetic ordering and …

This https://arxiv.org/abs/2402.02747 has been replaced.
link: https://scholar.google.com/scholar?q=a

Emergence of a condensate with finite-energy Cooper pairing in hybrid exciton/superconductor systems
We study theoretically a setup consisting of excitons formed in two valleys, with proximity-induced Cooper pairing, different in conduction and valence bands. Due to the combination of Coulomb interaction with superconducting proximity effects, Cooper pairing between electrons from conduction and valence bands from different valleys is formed. This finite-energy intervalley Cooper pairing has both even- and odd-frequency contributions. We show that there is a phase transition into formation of …

Pion Valence Quark Distribution at Physical Pion mass of $N_f=2 1 1$ Lattice QCD
Jack Holligan, Huey-Wen Lin
https://arxiv.org/abs/2404.14525 https://

Pion Valence Quark Distribution at Physical Pion mass of $N_f=2+1+1$ Lattice QCD
We present a state-of-the-art calculation of the unpolarized pion valence-quark distribution in the framework of large-momentum effective theory (LaMET) with improved handling of systematic errors as well as two-loop perturbative matching. We use lattice ensembles generated by the MILC collaboration at lattice spacing $a\approx 0.09$~fm, lattice volume $64^3\times 96$, $N_f=2+1+1$ flavors of highly-improved staggered quarks and a physical pion mass. The LaMET matrix elements are calculated with…

This https://arxiv.org/abs/2311.00743 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_hepp…

The intrinsic charm quark valence distribution of the proton
We provide a first quantitative indication that the wave function of the proton contains unequal distributions of charm quarks and antiquarks, i.e. a nonvanishing intrinsic valence charm distribution. A significant nonvanishing valence component cannot be perturbatively generated, hence our results reinforce previous evidence that the proton contains an intrinsic (i.e., not radiatively generated) charm quark component. We establish our result through a determination of the parton distribution f…

Mood as a Contextual Cue for Improved Emotion Inference
Soujanya Narayana, Ibrahim Radwan, Ramanathan Subramanian, Roland Goecke
https://arxiv.org/abs/2402.08413

Mood as a Contextual Cue for Improved Emotion Inference
Psychological studies observe that emotions are rarely expressed in isolation and are typically influenced by the surrounding context. While recent studies effectively harness uni- and multimodal cues for emotion inference, hardly any study has considered the effect of long-term affect, or \emph{mood}, on short-term \emph{emotion} inference. This study (a) proposes time-continuous \emph{valence} prediction from videos, fusing multimodal cues including \emph{mood} and \emph{emotion-change} ($Δ$…

This https://arxiv.org/abs/2310.15273 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Entanglement negativity between separated regions in quantum critical systems
We study the entanglement between disjoint subregions in quantum critical systems through the lens of the logarithmic negativity. We work with systems in arbitrary dimensions, including conformal field theories and their corresponding lattice Hamiltonians, as well as resonating valence-bond states. At small separations, the logarithmic negativity is big and displays universal behavior, but we show non-perturbatively that it decays faster than any power at large separations. This can already be …

Spectroscopy of N=50 isotones with the valence-space density matrix renormalization group
A. Tichai, K. Kap\'as, T. Miyagi, M. A. Werner, \"O. Legeza, A. Schwenk, G. Zarand
https://arxiv.org/abs/2402.18723

Spectroscopy of N=50 isotones with the valence-space density matrix renormalization group
The recently proposed combination of the valence-space in-medium similarity renormalization group (VS-IMSRG) with the density matrix renormalization group (DMRG) offers a scalable and flexible many-body approach for strongly correlated open-shell nuclei. We use the VS-DMRG to investigate the low-lying spectroscopy of N=50 isotones, which are characteristic for their transition between single-particle and collective excitations. We also study electromagnetic transitions and show the advantage of…

Beyond the Headlines: Understanding Sentiments and Morals Impacting Female Employment in Spain
Oscar Araque, Luca Barbaglia, Francesco Berlingieri, Marco Colagrossi, Sergio Consoli, Lorenzo Gatti, Caterina Mauri, Kyriaki Kalimeri
https://arxiv.org/abs/2402.07339

Beyond the Headlines: Understanding Sentiments and Morals Impacting Female Employment in Spain
After decades of improvements in the employment conditions of females in Spain, this process came to a sudden stop with the Great Spanish Recession of 2008. In this contribution, we analyse a large longitudinal corpus of national and regional news outlets employing advanced Natural Language Processing techniques to capture the valence of mentions of gender inequality expressed in the Spanish press. The automatic analysis of the news articles does indeed capture the known hardships faced by fema…

Up and Down Quark Structure of the Proton
D0 Collaboration
https://arxiv.org/abs/2403.09331 https://arxiv.org/pdf/2403.09331

Up and Down Quark Structure of the Proton
We measure proton structure parameters sensitive primarily to valence quarks using 8.6 fb$^{-1}$ of data collected by the D0 detector in $\sqrt{s}=1.96$ TeV $p\bar{p}$ collisions at the Fermilab Tevatron. We exploit the property of the forward-backward asymmetry in dilepton events to be factorized in to distinct structure parameters and electroweak quark-level asymmetries. Contributions to the asymmetry from $s$, $c$ and $b$ quarks, as well as from $u$ and $d$ quarks, are suppressed allowing va…

Anisotropic Dynamical Planckian Scaling of the Quasi-Kagome Kondo Lattice CeRhSn with Strong Valence Fluctuation
Shin-ichi Kimura, Muhammad Frassetia Lubis, Hiroshi Watanabe, Yasuyuki Shimura, Toshiro Takabatake
https://arxiv.org/abs/2402.18176

Anisotropic Dynamical Planckian Scaling of the Quasi-Kagome Kondo Lattice CeRhSn with Strong Valence Fluctuation
The anisotropic electronic structure and Drude response of the quasi-kagome Kondo lattice CeRhSn have been investigated using polarized optical conductivity measurements and first-principles density-functional-theory calculations. Along the hexagonal $a$- and $c$-axes, the peaks in the middle-infrared region originating from the hybridization between conduction bands and Ce~$4f$ states appear even at room temperature, indicating strong valence fluctuation. Renormalized Drude structures observed…

This https://arxiv.org/abs/1912.11791 has been replaced.
link: https://scholar.google.com/scholar?q=a

Mott insulating states of the anisotropic SU(4) Dirac fermions
We employ the large-scale quantum Monte-Carlo simulations to investigate the Mott-insulating states of the half-filled SU(4) Hubbard model on the square lattice with a staggered-flux pattern. The noninteracting band structure that evolves from a nested Fermi surface at zero flux to isotropic Dirac cones at $π$ flux, exhibits anisotropic Dirac cones as the flux varies in between. Our simulations show transitions between the three phases of Dirac semimetal, antiferromagnet and valence-bond solid…

This https://arxiv.org/abs/2401.09187 has been replaced.
initial toot: https://mastoxiv.page/@a…

Temperature dependence of relativistic valence band splitting induced by an altermagnetic phase transition
Altermagnetic (AM) materials exhibit non-relativistic, momentum-dependent spin-split states, ushering in new opportunities for spin electronic devices. While the characteristics of spin-splitting have been documented within the framework of the non-relativistic spin group symmetry, there has been limited exploration of the inclusion of relativistic symmetry and its impact on the emergence of a novel spin-splitting in the band structure. This study delves into the intricate relativistic electron…

Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table
G. -Q. Hai, L. C\^andido, B. G. A. Brito, Y. Liu
https://arxiv.org/abs/2404.16759

Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table
Electronic correlation is a complex many-body effect and the correlation energy depends on the specific electronic structure and spatial distribution of electrons in each atom and molecule. Although the total correlation energy in an atom can be decomposed into different components such as inter-orbital and intra-orbital pair-correlation energies (PCE), it is generally believed that the PCEs in different atoms cannot be the same. In this work, we investigate the correlation energies of the atom…

Corner entanglement of a resonating valence bond wavefunction
Giacomo Torlai, Roger G. Melko
https://arxiv.org/abs/2402.17211 https://

Corner entanglement of a resonating valence bond wavefunction
We perform a quantum Monte Carlo simulation of the resonating valence bond wavefunction on a two-dimensional square lattice with periodic boundary conditions. Using two replicas of the system, we calculate the second Renyi entropy on a spatial bipartition with a square geometry. Through a finite-size scaling analysis, we extract the logarithmic correction to the area law due to the presence of the sharp corners in the entangling surface. We find that the coefficient of this logarithm is positiv…

Exploring Valence Electron Dynamics of Xenon through Laser-Induced Electron Diffraction
Fang Liu, Slawomir Skruszewicz, Julian Sp\"athe, Yinyu Zhang, Sebastian Hell, Bo Ying, Gerhard G. Paulus, B\'alint Kiss, Krishna Murari, Malin Khalil, Eric Cormier, Li Guang Jiao, Stephan Fritzsche, Matthias K\"ubel
https://arxi…

This https://arxiv.org/abs/2401.12062 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Electronic Structure and Transport in the Potential Luttinger Liquids CsNb$_3$Br$_7$S and RbNb$_3$Br$_7$S
The crystal structures of ANb$_3$Br$_7$S (A = Rb and Cs) have been refined by single crystal X-ray diffraction, and are found to form highly anisotropic materials based on chains of the triangular Nb$_3$ cluster core. The Nb$_3$ cluster core contains seven valence electrons, six of them being assigned to Nb-Nb bonds within the Nb$_3$ triangle and one unpaired d electron. The presence of this surplus electron gives rise to the formation of correlated electronic states. The connectivity in the st…

This https://arxiv.org/abs/2307.14128 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_hep…

Bound isoscalar axial-vector $bc\bar u\bar d$ tetraquark $T_{bc}$ from lattice QCD using two-meson and diquark-antidiquark variational basis
We report a lattice QCD study of the heavy-light meson-meson interactions with an explicitly exotic flavor content $bc\bar u\bar d$, isospin $I\!=\!0$, and axialvector $J^P=1^+$ quantum numbers in search of possible tetraquark bound states. The calculation is performed at four values of lattice spacing, ranging $\sim$0.058 to $\sim$0.12 fm, and at five different values of valence light quark mass $m_{u/d}$, corresponding to pseudoscalar meson mass $M_{ps}$ of about 0.5, 0.6, 0.7, 1.0, and 3.0 G…

This https://arxiv.org/abs/2401.09187 has been replaced.
initial toot: https://mastoxiv.page/@a…

Temperature dependence of relativistic valence band splitting induced by an altermagnetic phase transition
Altermagnetic (AM) materials exhibit non-relativistic, momentum-dependent spin-split states, ushering in new opportunities for spin electronic devices. While the characteristics of spin-splitting have been documented within the framework of the non-relativistic spin group symmetry, there has been limited exploration of the inclusion of relativistic symmetry and its impact on the emergence of a novel spin-splitting in the band structure. This study delves into the intricate relativistic electron…

This https://arxiv.org/abs/2402.10449 has been replaced.
initial toot: https://mastoxiv.page/@a…

Light-Hole Spin Confined in Germanium
The selective confinement of light holes (LHs) in tensile strained germanium (Ge) is achieved by introducing Ge$_{1-x}$Sn$_x$/Ge/Ge$_{1-x}$Sn$_x$ heterostructures. By evaluating their electronic structure as a function of Sn content, residual strain, and Ge well thickness., it is shown that above $12\,\text{at.}\%$ Sn and below $0.4\%$ residual compressive strain in the barriers, the tensile strain in Ge becomes sufficiently large to yield a valence band edge with LH-like character, thus formin…

Novel Dipole-Lattice coupling in the Quantum-Spin-Liquid Material $\kappa$-Cu-CN
Jesse LiebmanJohns Hopkins University, Kazuya MiyagawaUniversity of Tokyo, Kazushi KanodaUniversity of Tokyo, Natalia DrichkoJohns Hopkins University
https://arxiv.org/abs/2403.02676

Novel Dipole-Lattice coupling in the Quantum-Spin-Liquid Material $κ$-Cu-CN
A family of molecular Mott insulators on triangular lattice provided a few S=1/2 triangular quantum spin liquid candidates, with $κ$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$ being the most studied material of this group. The large number experimental work presented a conflicting set of evidence, some suggesting spin liquid behavior, while other pointing on deceased magnetization reminding of a valence bond solid with orphan spins. In this work we use Raman scattering spectroscopy to probe both local charg…

Description of CuInP$_{2}$S$_{6}$ ferrielectrics in a mixed Ising model
R. Yevych, V. Liubachko, V. Hryts, M. Medulych, A. Kohutych, Yu. Vysochanskii
https://arxiv.org/abs/2403.14857

Description of CuInP$_{2}$S$_{6}$ ferrielectrics in a mixed Ising model
The appearance of spontaneous polarization in CuInP$_{2}$S$_{6}$ ferrielectrics is related to the second order Jahn-Teller effect for copper cations located in a double-well local potential, the stereoactivity of indium cations located in a three-well local potential, as well as the valence fluctuations of phosphorus cations. The paraelectric to ferrielectric phase transition is primarily determined by the coupling of indium cations with their surroundings. This transition can be analyzed using…

This https://arxiv.org/abs/2307.14128 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_hep…

Bound isoscalar axial-vector $bc\bar u\bar d$ tetraquark $T_{bc}$ from lattice QCD using two-meson and diquark-antidiquark variational basis
We report a lattice QCD study of the heavy-light meson-meson interactions with an explicitly exotic flavor content $bc\bar u\bar d$, isospin $I\!=\!0$, and axialvector $J^P=1^+$ quantum numbers in search of possible tetraquark bound states. The calculation is performed at four values of lattice spacing, ranging $\sim$0.058 to $\sim$0.12 fm, and at five different values of valence light quark mass $m_{u/d}$, corresponding to pseudoscalar meson mass $M_{ps}$ of about 0.5, 0.6, 0.7, 1.0, and 3.0 G…

Abnormal solutions of Bethe--Salpeter equation with massless and massive exchanges
Jaume Carbonell1, Vladimir Karmanov, Ekaterina Kupriyanova, Hagop Sazdjian
https://arxiv.org/abs/2404.12182

Abnormal solutions of Bethe--Salpeter equation with massless and massive exchanges
We summarize the main properties of the so called ''abnormal solutions'' of the Wick--Cutkosky model, i.e. two massive scalar particles interacting via massless scalar exchange ("photons"), within the Bethe--Salpeter equation. These solutions do not exist in the non-relativistic limit, in spite of having very small binding energies. They present a genuine many-body character dominated by photons, with a norm of the valence constituent wave function (two-body norm) that vanishes in the limit of …

This https://arxiv.org/abs/2402.17685 has been replaced.
initial toot: https://mastoxiv.page/@ar…

Attosecond Core-level Photoionization Delays of Aromatic Molecules
Attosecond photoionization delays are a unique probe of the structure and the electronic dynamics of matter, but valence-shell photoionization dynamics of polyatomic systems are often complicated and challenging to interpret because of the delocalized nature of the electronic wave functions. Here we use attosecond soft-X-ray pulses from LCLS to probe element-specific core-level photoionization delays between N-1s and C-1s core shells of aromatic azabenzene molecules containing one to three nitr…

Spin-state ordering and intermediate states in the mixed-valence cobalt oxyborate Co$_3$O$_2$BO$_3$ with spin crossover
E. Granado, C. W. Galdino, B. D. Moreno, G. King, D. C. Freitas
https://arxiv.org/abs/2403.17113

Spin-state ordering and intermediate states in the mixed-valence cobalt oxyborate Co$_3$O$_2$BO$_3$ with spin crossover
Spin-state ordering - a periodic pattern of ions with different spin-state configurations along a crystal lattice - is a rare phenomenon, and its possible interrelation with other electronic degrees of freedom remains little explored. Here we perform a structural investigation of the mixed-valence Co homometallic ludwigite Co$_2^{2+}$Co$^{3+}$O$_2$BO$_3$. A superstructure consistent with a long-range Co$^{3+}$ spin-state ordering is observed between $T_{4}=580$ K and $T_{3}=510$ K. Intermediate…

Intrinsic and extrinsic plasmons in the hard x-ray photoelectron spectra of nearly free electron metals
Mohammad Balal, Shuvam Sarkar, Pramod Bhakuni, Andrei Gloskovskii, Aparna Chakrabarti, Sudipta Roy Barman
https://arxiv.org/abs/2404.16620

Intrinsic and extrinsic plasmons in the hard x-ray photoelectron spectra of nearly free electron metals
Collective plasmon excitations in solids that result from the process of photoemission are an important area of fundamental research. In this study, we identify a significant number ($n$) of multiple bulk plasmons ($nω_p$) in the hard x-ray photoelectron spectra of the core levels and valence bands (VBs) of two well-known, nearly free electron metals, aluminum (Al) and magnesium (Mg). On the basis of earlier theoretical works, we estimate the contributions of extrinsic, intrinsic, and interfer…

This https://arxiv.org/abs/2304.13617 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_hep…

QCD Anderson transition with overlap valence quarks on a twisted-mass sea
In this work we probe the QCD Anderson transition by studying spectral distributions of the massless overlap operator on gauge configurations created by the twisted mass at finite temperature collaboration (tmfT) with 2+1+1 flavors of dynamical quarks and the Iwasaki gauge action. We assess finite-size and discretization effects by considering two different lattice spacings and several physical volumes, and mimic the approach to the continuum limit through stereographic projection. Fitting the …

This https://arxiv.org/abs/2310.11262 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_hepp…

Kaon Structure in the Nuclear Medium within the Light Front Approach
We study the properties of the charged kaon in symmetric nuclear matter using a Bethe-Salpeter amplitude to model the quark-anti-quark bound state, which is well constrained by previous studies of its vacuum properties. The electromagnetic form factor, charge radius, decay constant and the light-front valence component probability are investigated in symmetric nuclear matter. In order to describe the constituent up and anti-strange quarks in nuclear matter, we adopt the ``quark-meson coupling (…

Three-body analysis reveals the significant contribution of minor $^{5}$He $s$-wave component in $^{6}$Li$(p,2p)^{5}$He cross section
Shoya Ogawa, Kazuki Yoshida, Yoshiki Chazono, Kazuyuki Ogata
https://arxiv.org/abs/2404.17814

Three-body analysis reveals the significant contribution of minor $^{5}$He $s$-wave component in $^{6}$Li$(p,2p)^{5}$He cross section
$^6$Li is usually treated as an $α+p+n$ three-body system, and the validity of this picture is important for understanding $^6$Li reactions. The ($p$,$2p$) reaction is a powerful method to study the structure of valence nucleons in $^6$Li. Recently, the new experimental data of the $^{6}$Li($p$,$2p$)$^{5}$He reaction have been obtained and should be analyzed. We investigate the $^{6}$Li($p$,$2p$)$^{5}$He reaction using the $α+p+n$ three-body wave function of $^6$Li and study the validity of t…

This https://arxiv.org/abs/2310.15273 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Are fermionic quantum critical systems more entangled?
We study the entanglement between disjoint subregions in quantum critical systems through the lens of the logarithmic negativity. We work with systems in arbitrary dimensions, including conformal field theories and their corresponding lattice Hamiltonians, as well as resonating valence-bond states. At small separations, the logarithmic negativity is big and displays universal behaviour, but we show non-perturbatively that it decays faster than any power at large separations. This can already be…

Attosecond Core-level Photoionization Delays of Aromatic Molecules
Jia-Bao Ji, Zhaoheng Guo, Taran Driver, Cynthia S. Trevisan, David Cesar, Xinxin Cheng, Joseph Duris, Paris L. Franz, James Glownia, Xiaochun Gong, Daniel Hammerland, Meng Han, Saijoscha Heck, Matthias Hoffmann, Andrei Kamalov, Kirk A. Larsen, Xiang Li, Ming-Fu Lin, Yuchen Liu, C. William McCurdy, Razib Obaid, Jordan T. ONeal, Thomas N. Rescigno, River R. Robles, Nicholas Sudar, Peter Walter, Anna L. Wang, Jun Wang, Tho…

Attosecond Core-level Photoionization Delays of Aromatic Molecules
Attosecond photoionization delays are a unique probe of the structure and the electronic dynamics of matter, but valence-shell photoionization dynamics of polyatomic systems are often complicated and challenging to interpret because of the delocalized nature of the electronic wave functions. Here we use attosecond soft-X-ray pulses from LCLS to probe element-specific core-level photoionization delays between N-1s and C-1s core shells of aromatic azabenzene molecules containing one to three nitr…

Light-Hole Spin Confined in Germanium
Patrick Del Vecchio, Oussama Moutanabbir
https://arxiv.org/abs/2402.10449 https://arxiv.org/pdf…

Light-Hole Spin Confined in Germanium
The selective confinement of light holes (LHs) in tensile strained germanium (Ge) is achieved by introducing Ge$_{1-x}$Sn$_x$/Ge/Ge$_{1-x}$Sn$_x$ heterostructures. By evaluating their electronic structure as a function of Sn content, residual strain, and Ge well thickness., it is shown that above $12\,\text{at.}\%$ Sn and below $0.4\%$ residual compressive strain in the barriers, the tensile strain in Ge becomes sufficiently large to yield a valence band edge with LH-like character, thus formin…

Single-Spin Waved-Brim Flat-Top Hat in the Band Edge of GdIH Monolayer
Ningning Jia, Zhao Yang, Jiangtao Cai, Zhiheng Lv, Yongting Shi, Tielei Song, Xin Cui, Zhifeng Liu
https://arxiv.org/abs/2404.15007

Single-Spin Waved-Brim Flat-Top Hat in the Band Edge of GdIH Monolayer
Exotic electronic bands, such as flat bands, linear crossing bands, spontaneously valley- or spin-polarized bands, in two-dimensional materials have been the hot topics in condensed matter physics. Herein, we first propose a general dispersion model for possible hat-like electronic bands, and then identify an intriguing single-spin \emph{waved-brim flat-top hat} in the valence band edge of a stable ferromagnetic semiconducting electrene (i.e., Janus GdIH monolayer), which can be well described …

This https://arxiv.org/abs/2403.08088 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_hepp…

Nucleon charge and magnetisation distributions: flavour separation and zeroes
A symmetry-preserving truncation of the quantum field equations describing hadron properties is used to deliver parameter-free predictions for all nucleon elastic electromagnetic form factors and their flavour separation to large values of momentum transfer, $Q^2$. The proton electric form factor, $G_E^p$, possesses a zero, whereas that of the neutron, $G_E^n$, does not. The difference owes to the behaviour of the Pauli form factor of the proton's singly-represented valence $d$-quark. Consequen…

This https://arxiv.org/abs/2401.14396 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Entanglement entropy and deconfined criticality: emergent SO(5) symmetry and proper lattice bipartition
We study the Rényi entanglement entropy (EE) of the two-dimensional $J$-$Q$ model, the emblematic quantum spin model of deconfined criticality at the phase transition between antiferromagnetic and valence-bond-solid ground states. State-of-the-art quantum Monte Carlo calculations of the EE reveal critical corner contributions that scale logarithmically with the system size, with a coefficient in remarkable agreement with the form expected from a large-$N$ conformal field theory with SO($N=5$) …

This https://arxiv.org/abs/2312.09062 has been replaced.
initial toot: https://mastoxiv.page/@ar…

W4$Λ$: leveraging $Λ$ coupled cluster for accurate computational thermochemistry approaches
High-accuracy composite wavefunction methods like Weizmann-4 (W4) theory, high-accuracy extrapolated \textit{ab initio} thermochemistry (HEAT), and Feller-Peterson-Dixon (FPD) enable sub-kJ/mol accuracy in gas-phase thermochemical properties. Their biggest computational bottleneck is the evaluation of the valence post-CCSD(T) correction term. We demonstrate here, for the W4-17 thermochemistry benchmark and subsets thereof, that the lambda coupled cluster expansion converges more rapidly and smo…

Perspective on descriptors of mechanical behavior of cubic transition-metal carbides and nitrides
Hanna Kindlund, Theodora Ciobanu, Suneel Kodambaka, C. V. Ciobanu
https://arxiv.org/abs/2404.12853

Perspective on descriptors of mechanical behavior of cubic transition-metal carbides and nitrides
Cubic rocksalt structured transition-metal carbides, nitrides, and related alloys (TMC/Ns) are attractive for a wide variety of applications, notably as hard, wear-resistant material. To-date, valence electron concentration (VEC) is used as a good indicator of stability and mechanical properties of these refractory compounds. In this perspective, we argue for the need for electronic descriptors beyond VEC to explain and predict the mechanical behavior of the cubic TMC/Ns. As such, we point out …

Form factors for semileptonic B-decays with HISQ light quarks and clover b-quarks in Fermilab interpretation
Hwancheol Jeong, Carleton DeTar, Aida El-Khadra, Elvira G\'amiz, Zechariah Gelzer, Steven Gottlieb, William Jay, Andreas Kronfeld, Andrew Lytle, Alejandro Vaquero
https://arxiv.org/abs/2402.14924

Form factors for semileptonic B-decays with HISQ light quarks and clover b-quarks in Fermilab interpretation
We compute the vector, scalar, and tensor form factors for the $B\to π$, $B\to K$, and $B_s\to K$ amplitudes, which are needed to describe semileptonic $B$-meson decay rates for both the charged and neutral current cases. We use the highly improved staggered quark (HISQ) action for the sea and light valence quarks. The bottom quark is described by the clover action in the Fermilab interpretation. Simulations are carried out on $N_f = 2+1+1$ MILC HISQ ensembles at approximate lattice spacings f…

This https://arxiv.org/abs/2403.08088 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_hepp…

Nucleon charge and magnetisation distributions: flavour separation and zeroes
A symmetry-preserving truncation of the quantum field equations describing hadron properties is used to deliver parameter-free predictions for all nucleon elastic electromagnetic form factors and their flavour separation to large values of momentum transfer, $Q^2$. The proton electric form factor, $G_E^p$, possesses a zero, whereas that of the neutron, $G_E^n$, does not. The difference owes to the behaviour of the Pauli form factor of the proton's singly-represented valence $d$-quark. Consequen…

High quantum yields generated by a multi-band quantum dot photocell
Shun-Cai Zhao, Qi-Xuan Wu
https://arxiv.org/abs/2402.06681 https://

High quantum yields generated by a multi-band quantum dot photocell
We perform the quantum yields in a multi-band quantum dot (QD) photocell via doping an intermediate band (IB) between the conduction band (CB) and valence band (VB). Under two different sub-band gap layouts, the output power has a prominent enhancement than the single-band gap photocell and the achieved peak photo-to-charge efficiency reaches to 74.9% as compared to the limit efficiency of 63.2% via the IB approach in the theoretical solar cell prototype. The achieved quantum yields reveal the …

Electronic structure-property relationship in an Al0.5TiZrPdCuNi high-entropy alloy
Emil Babi\'c, Ignacio A. Figueroa, Vesna Mik\v{s}i\'c Trontl, Petar Pervan, Ivo Pletikosi\'c, Ramir Risti\'c, Amra Sal\v{c}inovi\'c Feti\'c, \v{Z}eljko Skoko, Damir Stare\v{s}ini\'c, Tonica Valla, Kre\v{s}o Zadro
https://

Electronic structure-property relationship in an Al0.5TiZrPdCuNi high-entropy alloy
The valence band (VB) structure of an Al0.5TiZrPdCuNi high-entropy alloy (HEA) obtained from X-ray photoelectron spectroscopy has been compared to that recently calculated by Odbadrakh et al, 2019. Both experimental and theoretical VBs show split-band structures typical of alloys composed from the early (TE) and late (TL) transition metals. Accordingly, several properties of this alloy (both in the glassy and crystalline state) associated with the electronic structure (ES), are compared with th…

This https://arxiv.org/abs/2010.00453 has been replaced.
link: https://scholar.google.com/scholar?q=a

Water is a radiation protection agent for ionised pyrrole
Radiation-induced damage of biological matter is an ubiquitous problem in nature. The influence of the hydration environment is widely discussed, but its exact role remains elusive. Utilising well defined solvated-molecule aggregates, we experimentally observed a hydrogen-bonded water molecule acting as a radiation protection agent for ionised pyrrole, a prototypical aromatic biomolecule. Pure samples of pyrrole and pyrrole(H$_2$O) were outer-valence ionised and the subsequent damage and relaxa…

Contact interaction study of proton parton distributions
Yang Yu, Peng Cheng, Hui-Yu Xing, Fei Gao, Craig D. Roberts
https://arxiv.org/abs/2402.06095 https…

Contact interaction study of proton parton distributions
Using a symmetry-preserving formulation of a vector$\,\times\,$vector contact interaction (SCI) and treating the proton as a quark + interacting-diquark bound state, whose structure is obtained by solving a Poincaré-covariant Faddeev equation, we provide a comprehensive, coherent set of predictions for unpolarised and polarised proton parton distribution functions (DFs): valence, glue, and four-flavour separated sea. The results enable many themes to be addressed, including: the asymmetry of a…

High-entropy alloy TiV2ZrCrMnFeNi for hydrogen storage at room temperature with full reversibility and good activation
Shivam Dangwal, Kaveh Edalati
https://arxiv.org/abs/2402.11781

High-entropy alloy TiV2ZrCrMnFeNi for hydrogen storage at room temperature with full reversibility and good activation
The development of alloys that are hydrogenated and dehydrogenated quickly and actively at room temperature is a challenge for the safe and compact storage of hydrogen. In this study, a new high-entropy alloy (HEA) with AB-type configuration (A: hydride-forming elements, B: inert-to-hydrogen elements) was designed by considering valence electron concentration, electronegativity difference and atomic-size mismatch of elements. The alloy TiV2ZrCrMnFeNi had dual C14 Laves and BCC phases, in which …

High-entropy alloy TiV2ZrCrMnFeNi for hydrogen storage at room temperature with full reversibility and good activation
Shivam Dangwal, Kaveh Edalati
https://arxiv.org/abs/2402.11781

High-entropy alloy TiV2ZrCrMnFeNi for hydrogen storage at room temperature with full reversibility and good activation
The development of alloys that are hydrogenated and dehydrogenated quickly and actively at room temperature is a challenge for the safe and compact storage of hydrogen. In this study, a new high-entropy alloy (HEA) with AB-type configuration (A: hydride-forming elements, B: inert-to-hydrogen elements) was designed by considering valence electron concentration, electronegativity difference and atomic-size mismatch of elements. The alloy TiV2ZrCrMnFeNi had dual C14 Laves and BCC phases, in which …

This https://arxiv.org/abs/2403.01937 has been replaced.
link: https://scholar.google.com/scholar?q=a

Examining the critical phenomenon of pion parton distribution: Insights from the Moment Problem
A recent study by Wang {\it et al.}(arXiv:2309.01417) proposed a novel connection between the nature of the parton distribution function (PDF) and the characteristics of its moments. In this study, we apply these findings to analyze the evolution of the pion valence quark PDF, garnering valuable qualitative insights. Firstly, we validate the non-negativity and continuity of the PDF across a wide range of scales, indicating the logical consistency of our chosen evolution scheme. Subsequently, we…

Sizes of the Nucleon
Norbert Kaiser, Wolfram Weise
https://arxiv.org/abs/2404.11292 https://arxiv.org/pdf/2404.11292

Sizes of the Nucleon
Evidences are updated and strengthened for the two-scales picture of low-energy nucleon structure as a compact `hard' valence quark core surrounded by a `soft' cloud of quark-antiquark pairs (the meson cloud). These considerations are quantified by a spectral analysis of the mean-squared radii associated with the isoscalar and isovector electric form factors of the nucleon. Further supporting arguments come from corresponding studies of the axial and mass form factors and their inferred radii. …

This https://arxiv.org/abs/2305.09453 has been replaced.
initial toot: https://mastoxiv.page/@a…

Unconventional phonon spectra and obstructed edge phonon modes
Based on the elementary band representations (EBR), some topologically trivial materials are classified as unconventional ones (obstructed atomic limit), where the EBR decomposition of electronic states is not consistent with the atomic valence-electron band representations. In the work, we identify that the unconventional nature can also exist in phonon spectra, where the EBR decomposition of the phonon modes is not consistent with atomic vibration band representations (ABR). The unconventiona…

This https://arxiv.org/abs/2403.03959 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_hep…

$B$-meson semileptonic decays from highly improved staggered quarks
We present an update for results on $B$-meson semileptonic decays using the highly improved staggered quark (HISQ) action for both valence and 2+1+1 sea quarks. The use of the highly improved action, combined with the MILC collaboration's gauge ensembles with lattice spacings down to $\sim$0.03 fm, allows the $b$ quark to be treated with the same discretization as the lighter quarks. The talk will focus on updated results for $B_{(s)} \to D_{(s)}$, $B_{(s)} \to K$ scalar and vector form factors.

This https://arxiv.org/abs/2403.13154 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Vison condensation and spinon confinement in a kagome lattice $\mathbb{Z}_2$ spin liquid: A numerical study of a quantum dimer model
Quantum spin liquids are exotic many-body states featured with long-range entanglement and fractional anyon quasiparticles. Quantum phase transitions of spin liquids are particularly interesting problems related with novel phenomena of anyon condensation and anyon confinement. Here we study a quantum dimer model which implements a transition between a $\mathbb{Z}_2$ spin liquid ($\mathbb{Z}_2$SL) and a valence bond solid (VBS) on the kagome lattice. The transition is driven by the condensation …

This https://arxiv.org/abs/2305.09453 has been replaced.
initial toot: https://mastoxiv.page/@a…

Unconventional phonon spectra and obstructed edge phonon modes
Based on the elementary band representations (EBR), some topologically trivial materials are classified as unconventional ones (obstructed atomic limit), where the EBR decomposition of electronic states is not consistent with the atomic valence-electron band representations. In the work, we identify that the unconventional nature can also exist in phonon spectra, where the EBR decomposition of the phonon modes is not consistent with atomic vibration band representations (ABR). The unconventiona…

This https://arxiv.org/abs/2311.09823 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Spin-phonon interactions on the kagome lattice: Dirac spin liquid versus valence-bond solids
We investigate the impact of the spin-phonon coupling on the S=1/2 Heisenberg model on the kagome lattice. For the pure spin model, there is increasing evidence that the low-energy properties can be correctly described by a Dirac spin liquid, in which spinons with a conical dispersion are coupled to emergent gauge fields. Within this scenario, the ground-state wave function is well approximated by a Gutzwiller-projected fermionic state [Y. Ran, M. Hermele, P.A. Lee, and X.-G. Wen, Phys. Rev. Le…

Calculation of DC Stark Resonances for the Ammonia Molecule
Patrik Pirkola, Marko Horbatsch
https://arxiv.org/abs/2404.10000 https://…

Calculation of DC Stark Resonances for the Ammonia Molecule
A model potential previously developed for the ammonia molecule is treated in a single-center partial-wave approximation in analogy with a self-consistent field method developed by Moccia. The latter was used in a number of collision studies. The model potential is used to calculate dc Stark resonance parameters, i.e., resonance positions and shifts within a single-center partial wave expansion, using the exterior complex scaling method for the radial coordinate. Three molecular valence orbital…

This https://arxiv.org/abs/2402.13877 has been replaced.
link: https://scholar.google.com/scholar?q=a

Reference Energies for Valence Ionizations and Satellite Transitions
Upon ionization of an atom or a molecule, another electron (or more) can be simultaneously excited. These concurrently generated states are called "satellites" (or shake-up transitions) as they appear in ionization spectra as higher-energy peaks with weaker intensity and larger width than the main peaks associated with single-particle ionizations. Satellites, which correspond to electronically excited states of the cationic species, are notoriously challenging to model using conventional single…

This https://arxiv.org/abs/2403.02676 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Novel Dipole-Lattice coupling in the Quantum-Spin-Liquid Material $κ$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$
A family of molecular Mott insulators on triangular lattice provided a few S=1/2 triangular quantum spin liquid candidates, with $κ$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$ being the most studied material of this group. The large number experimental works present a conflicting set of evidence, with some suggesting spin liquid behavior, while others point towards a valence bond solid with orphan spins. In this work we use Raman scattering spectroscopy to probe both local charge on molecular sites and latt…

This https://arxiv.org/abs/2312.09062 has been replaced.
initial toot: https://mastoxiv.page/@ar…

W4$Λ$: leveraging $Λ$ coupled cluster for accurate computational thermochemistry approaches
High-accuracy composite wavefunction methods like Weizmann-4 (W4) theory, high-accuracy extrapolated \textit{ab initio} thermochemistry (HEAT), and Feller-Peterson-Dixon (FPD) enable sub-kJ/mol accuracy in gas-phase thermochemical properties. Their biggest computational bottleneck is the evaluation of the valence post-CCSD(T) correction term. We demonstrate here, for the W4-17 thermochemistry benchmark and subsets thereof, that the lambda coupled cluster expansion converges more rapidly and smo…

Geometric frustration and Dzyaloshinskii-Moriya interactions in a quantum star lattice hybrid copper sulfate
Hajime Ishikawa, Yuto Ishii, Takeshi Yajima, Yasuhiro H. Matsuda, Koichi Kindo, Yusei Shimizu, Ioannis Rousochatzakis, Ulrich K. R\"o{\ss}ler, Oleg Janson
https://arxiv.org/abs/2404.06783

Geometric frustration and Dzyaloshinskii-Moriya interactions in a quantum star lattice hybrid copper sulfate
We study the magnetism of a layered, spin-$\frac12$ organic-inorganic copper sulfate, which is a close realization of the star lattice antiferromagnet, one of the playgrounds of geometric frustration and resonating valence bond physics in two spatial dimensions. Our thermodynamic measurements show no ordering down to 0.1 K and a characteristic field-induced entropic shift, revealing the presence of an infinite number of competing states down to very low energy scales. The response to external m…

This https://arxiv.org/abs/2401.05586 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Structural transition and uranium valence change in UTe$_2$ at high pressure revealed by x-ray diffraction and spectroscopy
High pressure x-ray diffraction up to 30 GPa and resonant emission x-ray spectroscopy and partial fluorescence yield x-ray absorption spectroscopy up to 52 GPa were used to study how the structural and electronic properties of UTe$_2$ evolve with pressure at room temperature. An orthorhombic to tetragonal phase transition was observed to occur between 5 and 7 GPa, with a large volume collapse of nearly 11% and a nearest U-U distance increase by about 4%. This lower to higher symmetry transition…

Quantum Spin Liquids in Weak Mott Insulators with a Spin-Orbit Coupling
Asimpunya Mitra, Daniel J. Schultz, Yong Baek Kim
https://arxiv.org/abs/2404.05806 …

Quantum Spin Liquids in Weak Mott Insulators with a Spin-Orbit Coupling
The weak Mott insulating regime of the triangular lattice Hubbard model exhibits a rich magnetic phase diagram as a result of the ring exchange interaction in the spin Hamiltonian. These phases include the Kalmeyer-Laughlin type chiral spin liquid (CSL) and a valence bond solid (VBS). A natural question arises regarding the robustness of these phases in the presence of a weak spin-orbit coupling (SOC). In this study, we derive the effective spin model for the spin-orbit coupled triangular latti…

This https://arxiv.org/abs/2312.01967 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Kitaev-Heisenberg model on the star lattice -- from chiral Majoranas to chiral triplons
The interplay of frustrated interactions and lattice geometry can lead to a variety of exotic quantum phases. Here we unearth a particularly rich phase diagram of the Kitaev-Heisenberg model on the star lattice, a triangle decorated honeycomb lattice breaking sublattice symmetry. In the antiferromagnetic regime, the interplay of Heisenberg coupling and geometric frustration leads to the formation of valence bond solid (VBS) phases -- a singlet VBS and a bond selective triplet VBS stabilized by …

Quantifying the U $5f$ covalence and degree of localization in U intermetallics
Andrea Marino, Denise S. Christovam, Daisuke Takegami, Johannes Falke, Miguel M. F. Carvalho, Takaki Okauchi, Chung-Fu Chang, Simone G. Altendorf, Andrea Amorese, Martin Sundermann, Andrei Gloskovskii, Hlynur Gretarsson, Bernhard Keimer, Alexandr V. Andreev, Ladislav Havela, Andreas Leithe-Jasper, Andrea Severing, Jan Kunes, Liu Hao Tjeng, Atsushi Hariki

Quantifying the U $5f$ covalence and degree of localization in U intermetallics
A procedure for quantifying the U $5f$ electrons' covalence and degree of localization in U intermetallic compounds is presented. To this end, bulk sensitive hard and soft x-ray photoelectron spectroscopy were utilized in combination with density-functional theory (DFT) plus dynamical mean-field theory (DMFT) calculations. The energy dependence of the photoionization cross-sections allows the disentanglement of the U\,$5f$ contribution to the valence band from the various other atomic subshells…

This https://arxiv.org/abs/2309.13630 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Absence of Spin Liquid Phase in the $J_1-J_2$ Heisenberg model on the Square Lattice
We perform an in-depth investigation of the phase diagram of the $J_1-J_2$ Heisenberg model on the square lattice. We take advantage of Density Matrix Renormalization Group and Fully-Augmented Matrix Product States methods and reach unprecedented accuracy with large bond dimensions. We utilize excited-level crossing analysis to pinpoint the phase transition points. It was believed before that there exists a narrow spin liquid phase sandwiched by the Néel antiferromagnetic (AFM) and valence bon…

Novel quantum spin liquid ground state in the trimer rhodate Ba$_4$NbRh$_3$O$_{12}$
Abhisek Bandyopadhyay, S. Lee, D. T. Adroja, G. B. G. Stenning, Adam Berlie, M. R. Lees, R. A. Saha, D. Takegami, A. Melendez-Sans, G. Poelchen, M. Yoshimura, K. D. Tsuei, Z. Hu, Cheng-Wei Kao, Yu-Cheng Huang, Ting-Shan Chan, Kwang-Yong Cho
https://

Novel quantum spin liquid ground state in the trimer rhodate Ba$_4$NbRh$_3$O$_{12}$
Frustrated magnets offer a plethora of exotic magnetic ground states, including quantum spin liquids (QSLs), in which enhanced quantum fluctuations prevent a long-range magnetic ordering of the strongly correlated spins down to lowest temperature. Here we have investigated the trimer based mixed valence hexagonal rhodate Ba$_4$NbRh$_3$O$_{12}$ using a combination of dc and ac magnetization, electrical resistivity, specific heat, and muon spin rotation/relaxation ($μ$SR) measurements. Despite t…