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iCAS: Imposed Automatic Selection and Localization of Complete Active Spaces

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Journal:J. Chem. Theory Comput.

All the Authors:B. Suo

First Author:Y. Lei

Correspondence Author:W. Liu*

Document Code:10.1021/acs.jctc.1c00456

Volume:17

Page Number:4846-4859

Translation or Not:no

Date of Publication:2021-07-01

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