Local Second-Order Møller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment.

Wang, Zhenling; Aldossary, Abdulrahman; Shi, Tianyi; Liu, Yang; Li, Xiaoye S; Head-Gordon, Martin.

Afiliação

Wang Z; Department of Chemistry, University of California, Berkeley, California 94720, United States.
Aldossary A; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
Shi T; Department of Chemistry, University of California, Berkeley, California 94720, United States.
Liu Y; Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
Li XS; Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
Head-Gordon M; Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.

J Chem Theory Comput ; 19(21): 7577-7591, 2023 Nov 14.

Article em En | MEDLINE | ID: mdl-37877899

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article