111 citations · 210 across the 7 of their papers we have counts for
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physics.chem-ph2023
Studies of Nonadiabatic Dynamics in the Singlet Fission Processes of Pentacene Dimer via Tensor Train Decomposition Method
Jiawei Peng, Deping Hu, Hong Liu +3
Singlet fission (SF) is a very significant photophysical phenomenon and possesses potential applications. In this work, we try to give the rather detailed theoretical investigation…
physics.chem-ph2020
Diabatic States,Couplings and Potential Energy Surfaces through the Block Localized Excitation Method
Peng Bao, Qiang Shi, Jiali Gao
We propose a new block localized excitation (BLE) method to directly construct diabatic excited states without the need to first compute the adiabatic states. The new method is cap…
physics.chem-ph2010★ 7 cited
Theory of proton coupled electron transfer reactions: Assessing the Born-Oppenheimer approximation for the proton motion using an analytically solvable model
Renhui Zheng, Yuanyuan Jing, Liping Chen +1
By employing an analytically solvable model including the Duschinsky rotation effect, we investigated the applicability of the commonly used Born-Oppenheimer (BO) approximation for…