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New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States.

Authors :
Shu, Yinan
Zhang, Linyao
Wu, Dihua
Chen, Xiye
Sun, Shaozeng
Truhlar, Donald G.
Source :
Journal of Chemical Theory & Computation; 5/9/2023, Vol. 19 Issue 9, p2419-2429, 11p
Publication Year :
2023

Details

Language :
English
ISSN :
15499618
Volume :
19
Issue :
9
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
163627791
Full Text :
https://doi.org/10.1021/acs.jctc.2c01173