Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals

标题
Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 13, Issue 9, Pages 4063-4078
出版商
American Chemical Society (ACS)
发表日期
2017-07-22
DOI
10.1021/acs.jctc.7b00128

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