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Many-Body Dispersion.
Xu, Peng; Alkan, Melisa; Gordon, Mark S.
Afiliação
  • Xu P; Department of Chemistry, Iowa State University, Ames, Iowa 50014, United States.
  • Alkan M; Department of Chemistry, Iowa State University, Ames, Iowa 50014, United States.
  • Gordon MS; Department of Chemistry, Iowa State University, Ames, Iowa 50014, United States.
Chem Rev ; 120(22): 12343-12356, 2020 11 25.
Article em En | MEDLINE | ID: mdl-33166127
ABSTRACT
A broad range of approaches to many-body dispersion are discussed, including empirical approaches with multiple fitted parameters, augmented density functional-based approaches, symmetry adapted perturbation theory, and a supermolecule approach based on coupled cluster theory. Differing definitions of "body" are considered, specifically atom-based vs molecule-based approaches.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article