New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering.

Schnack-Petersen, Anna Kristina; Moitra, Torsha; Folkestad, Sarai Dery; Coriani, Sonia

Schnack-Petersen, Anna Kristina; Moitra, Torsha; Folkestad, Sarai Dery; Coriani, Sonia.

Afiliação

Schnack-Petersen AK; DTU Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.
Moitra T; DTU Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.
Folkestad SD; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiTThe Arctic University of Norway, 9037 Tromsø, Norway.
Coriani S; Department of Chemistry, Norwegian University of Science and Technology, NO-7491 Trondheim, Norway.

J Phys Chem A ; 127(7): 1775-1793, 2023 Feb 23.

Article em En | MEDLINE | ID: mdl-36763003

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

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