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Non-orthogonal Self-Consistent-Field Theory

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1 results in Keywords: Non-orthogonal Self-Consistent-Field Theory

Physical Chemistry

Minimal Active Space: NOSCF and NOSI in Multistate Density Functional Theory

Yangyi Lu, Ruoqi Zhao, Jun Zhang, Meiyi Liu, Jiali Gao

Version 2 posted 17 October 2022

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