Multicomponent CASSCF Revisited: Large Active Spaces Are Needed for Qualitatively Accurate Protonic Densities

标题
Multicomponent CASSCF Revisited: Large Active Spaces Are Needed for Qualitatively Accurate Protonic Densities
作者
关键词
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出版物
出版商
American Chemical Society (ACS)
发表日期
2021-01-07
DOI
10.1021/acs.jctc.0c01191

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