Optimization of Three State Conical Intersections by Adaptive Penalty Function Algorithm in Connection with the Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory Method (MRSF-TDDFT)
出版年份 2021 全文链接
标题
Optimization of Three State Conical Intersections by Adaptive Penalty Function Algorithm in Connection with the Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory Method (MRSF-TDDFT)
作者
关键词
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出版物
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 125, Issue 9, Pages 1994-2006
出版商
American Chemical Society (ACS)
发表日期
2021-03-03
DOI
10.1021/acs.jpca.0c11294
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