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iCISCF: An Iterative Configuration Interaction-Based Multiconfigurational Self-Consistent Field Theory for Large Active Spaces

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Journal:J. Chem. Theory Comput.

All the Authors:N. Zhang,Y. Lei

First Author:Y. Guo

Correspondence Author:W. Liu*

Volume:17

Page Number:7545-7561

Translation or Not:no

Date of Publication:2021-11-01

Included Journals:SCI

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