Generalized Ab Initio Nonadiabatic Dynamics Simulation Methods from Molecular to Extended Systems-Reference-Cited by-同舟云学术

Generalized Ab Initio Nonadiabatic Dynamics Simulation Methods from Molecular to Extended Systems

Published:2022-03-10 Issue:11 Volume:126 Page:1789-1804
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Xie Bin-Bin¹^ORCID,Jia Pei-Ke¹,Wang Ke-Xin¹,Chen Wen-Kai²,Liu Xiang-Yang³^ORCID,Cui Ganglong²^ORCID

Affiliation:

1. Hangzhou Institute of Advanced Studies, Zhejiang Normal University, 1108 Gengwen Road, Hangzhou 311231, Zhejiang, P. R. China

2. Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education College of Chemistry, Beijing Normal University, Beijing 100875, P. R. China

3. College of Chemistry and Material Science, Sichuan Normal University, Chengdu 610068, Sichuan, P. R. China

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Zhejiang Provincial Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c10195

Reference156 articles.

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4. Nonadiabatic Events and Conical Intersections

5. BEYOND BORN-OPPENHEIMER: Molecular Dynamics Through a Conical Intersection

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