Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology.

Pomogaev, Vladimir; Lee, Seunghoon; Shaik, Sason; Filatov, Michael; Choi, Cheol Ho.

Afiliação

Pomogaev V; Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea.
Lee S; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.
Shaik S; The Lise Meitner-Minerva Center for Computational Quantum Chemistry, Institute of Chemistry, The Hebrew University of Jerusalem, Givat Ram Campus, Jerusalem 91904, Israel.
Filatov M; Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea.
Choi CH; Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea.

J Phys Chem Lett ; 12(40): 9963-9972, 2021 Oct 14.

Article em En | MEDLINE | ID: mdl-34617764

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article