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2025-06-04 13:52:31

This https://arxiv.org/abs/2412.03412 has been replaced.
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Wavepacket and Reduced-Density Approaches for High-Dimensional Quantum Dynamics: Application to the Nonlinear Spectroscopy of Asymmetrical Light-Harvesting Building Blocks
Excitation-energy transfer (EET) and relaxation in an optically excited building block of poly(phenylene ethynylene) (PPE) dendrimers are simulated using wavepackets with the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method and reduced-density matrices with the hierachical equations of motion (HEOM) approach. The dynamics of the ultrafast electronic funneling between the first two excited electronic states in the asymmetrically meta-substituted PPE oligomer with two rings …