Open AccessApproximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). II. The full rank NEVPT2 (FR-NEVPT2) formulation
Author(s) -
Yang Guo,
Kantharuban Sivalingam,
Christian Kollmar,
Frank Neese
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0051218
Subject(s) - valence (chemistry) , complete active space , wave function , chemistry , mathematics , density functional theory , computational chemistry , atomic physics , physics , quantum mechanics , basis set
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