iCAS: Imposed Automatic Selection and Localization of Complete Active Spaces
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Journal:J. Chem. Theory Comput.
First Author:Y. Lei
Correspondence Author:W. Liu*
All the Authors:B. Suo
Document Code:10.1021/acs.jctc.1c00456
Volume:17
Page Number:4846-4859
Translation or Not:No
Date of Publication:2021-07