On-the-Fly Symmetrical Quasi-Classical Dynamics with Meyer–Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections-Reference-Cited by-同舟云学术

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On-the-Fly Symmetrical Quasi-Classical Dynamics with Meyer–Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections

Published:2021-05-24 Issue:6 Volume:17 Page:3267-3279
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hu Deping¹²^ORCID,Xie Yu¹²,Peng Jiawei¹²,Lan Zhenggang¹²

Affiliation:

1. SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Environmental Theoretical Chemistry, South China Normal University, Guangzhou 510006, China

2. School of Environment, South China Normal University, Guangzhou 510006, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01249

Reference131 articles.

1. Conical Intersections

2. Conical Intersections

3. Charge and Energy Transfer Dynamics in Molecular Systems

4. Exciton–vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates

5. Ab Initio Nonadiabatic Quantum Molecular Dynamics

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