HkS9ewC4ymtBzNAsf2uiCOVQFiKE10jZjxI3xVKxSpDFV3K6ldSzJGd7NpGR
Current position: Home >> Scientific Research >> Paper Publications

Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). I. Revisiting the NEVPT2 construction

Hits:

Institution:前沿交叉科学青岛研究院

Title of Paper:Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). I. Revisiting the NEVPT2 construction

Journal:Journal of Chemical Physics

First Author:郭阳

Document Code:2398419C99A4416F9E38B722457D3A84

Volume:154

Issue:21

Translation or Not:No

Date of Publication:2021-06

Release Time:2021-09-23

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

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