Tootfinder

This https://arxiv.org/abs/2308.05310 has been replaced.
initial toot: https://mastoxiv.page/@a…

Self-consistent convolutional density functional approximations: Application to adsorption at metal surfaces
The exchange-correlation (XC) functional in density functional theory is used to approximate multi-electron interactions. A plethora of different functionals is available, but nearly all are based on the hierarchy of inputs commonly referred to as "Jacob's ladder." This paper introduces an approach to construct XC functionals with inputs from convolutions of arbitrary kernels with the electron density, providing a route to move beyond Jacob's ladder. We derive the variational derivative of thes…

This https://arxiv.org/abs/2305.18801 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_mat…

Global minimization of polynomial integral functionals
We describe a `discretize-then-relax' strategy to globally minimize integral functionals over functions $u$ in a Sobolev space subject to Dirichlet boundary conditions. The strategy applies whenever the integral functional depends polynomially on $u$ and its derivatives, even if it is nonconvex. The `discretize' step uses a bounded finite element scheme to approximate the integral minimization problem with a convergent hierarchy of polynomial optimization problems over a compact feasible set, i…

This https://arxiv.org/abs/2308.05310 has been replaced.
initial toot: https://mastoxiv.page/@a…

Self-consistent convolutional density functional approximations: Application to adsorption at metal surfaces
The exchange-correlation (XC) functional in density functional theory is used to approximate multi-electron interactions. A plethora of different functionals is available, but nearly all are based on the hierarchy of inputs commonly referred to as "Jacob's ladder." This paper introduces an approach to construct XC functionals with inputs from convolutions of arbitrary kernels with the electron density, providing a route to move beyond Jacob's ladder. We derive the variational derivative of thes…

Extended Time-Dependent Density Functional Theory for Multi-Body Densities
Jiong-Hang Liang, Tian-Xing Hu, D. Wu, Zheng-Mao Sheng, J. Zhang
https://arxiv.org/abs/2403.04458

Extended Time-Dependent Density Functional Theory for Multi-Body Densities
Time-dependent density functional theory (TDDFT) is widely used for understanding and predicting properties and behaviors of matter. As one of the fundamental theorems in TDDFT, van Leeuwen's theorem [Phys. Rev. Lett. 82, 3863 (1999)] guarantees how to construct a unique potential with the same one-body density evolution. Here we extend van Leeuwen's theorem by exploring truncation criteria in BBGKY-hierarchy. Our generalized theorem demonstrates the existence of a unique non-local potential to…

This https://arxiv.org/abs/2312.14026 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Non-Fermi liquid fixed point of the dissipative Yukawa-Sachdev-Ye-Kitaev model
Using a functional renormalization group approach we derive the renormalization group (RG) flow of a dissipative variant of the Yukawa-Sachdev-Ye-Kitaev model describing $N$ fermions on a quantum dot which interact via a disorder-induced Yukawa coupling with $M$ bosons. The inverse Euclidean propagator of the bosons is assumed to exhibit a non-analytic term proportional to the modulus of the Matsubara frequency. We show that, to leading order in $1/N$ and $1/M$, the hierarchy of formally exact …