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BDF: A relativistic electronic structure program package

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Affiliation of Author(s):前沿交叉科学青岛研究院

Journal:Journal of Chemical Physics

First Author:张勇

Document Code:CDBFB400E54F4034B9D4866D6988C0E3

Volume:152

Issue:6

Translation or Not:no

Date of Publication:2020-02-14

Pre One:Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). II. The full rank NEVPT2 (FR-NEVPT2) formulation

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