Toward an efficient implementation of internally contracted coupled-cluster methods.

Black, Joshua A; Waigum, Alexander; Adam, Robert G; Shamasundar, K R; Köhn, Andreas.

Afiliação

Black JA; Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
Waigum A; Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
Adam RG; Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
Shamasundar KR; Department of Chemical Sciences, IISER Mohali, Mohali, Punjab 140306, India.
Köhn A; Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany.

J Chem Phys ; 158(13): 134801, 2023 Apr 07.

Article em En | MEDLINE | ID: mdl-37031106

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