3 papers
physics.chem-ph2025
DIALECT, a software package for exciton spectra and dynamics in large molecular assemblies from weak to strong light-matter coupling regimes
Richard Einsele, Xincheng Miao, Luca Nils Philipp +1
The software package DIALECT is introduced, which provides the capability of calculating excited-state properties and nonadiabatic dynamics of large molecular systems and can be ap…
physics.chem-ph2024
FMO-LC-TDDFTB method for excited states of large molecular assemblies in the strong light-matter coupling regime
Richard Einsele, Luca Nils Philipp, Roland Mitrić
We present a new methodology to calculate the strong light-matter coupling between photonic modes in microcavities and large molecular aggregates that consist of hundreds of molecu…
physics.chem-ph2024
Nonadiabatic excited-state dynamics and energy gradients in the framework of FMO-LC-TDDFTB
Richard Einsele, Roland Mitrić
We introduce a novel methodology for simulating the excited-state dynamics of extensive molecular aggregates in the framework of the long-range corrected time-dependent density-fun…