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

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Affiliation of Author(s):前沿交叉科学青岛研究院

Journal:Journal of chemical theory and computation

First Author:郭阳

Document Code:1543801035409080322

Volume:17

Issue:12

Page Number:7545-7561

Translation or Not:no

Date of Publication:2021-11-10

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