Robust ΔSCF calculations with direct energy functional minimization methods and STEP for molecules and materials
出版年份 2022 全文链接
标题
Robust ΔSCF calculations with direct energy functional minimization methods and STEP for molecules and materials
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 156, Issue 15, Pages 154104
出版商
AIP Publishing
发表日期
2022-04-18
DOI
10.1063/5.0075927
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