A new permutation-symmetry-adapted machine learning diabatization procedure and its application in MgH2 system-Reference-Cited by-同舟云学术

A new permutation-symmetry-adapted machine learning diabatization procedure and its application in MgH2 system

Published:2021-12-07 Issue:21 Volume:155 Page:214102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Li You¹^ORCID,Liu Jingmin¹²^ORCID,Li Jiarui¹^ORCID,Zhai Yu¹^ORCID,Yang Jitai¹^ORCID,Qu Zexing¹^ORCID,Li Hui¹^ORCID

Affiliation:

1. Institute of Theoretical Chemistry, College of Chemistry, Jilin University, 2519 Jiefang Road, Changchun 130023, People’s Republic of China

2. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, People’s Republic of China

Funder

National Natural Science Foundation of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0072004

Reference95 articles.

1. Nonadiabatic Quantum Chemistry—Past, Present, and Future

2. Isomerization Through Conical Intersections

3. Nonadiabatic Events and Conical Intersections

4. Theoretical Description of Structural and Electronic Properties of Organic Photovoltaic Materials

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