Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple.

Knecht, Stefan; Repisky, Michal; Jensen, Hans Jørgen Aagaard; Saue, Trond

Knecht, Stefan; Repisky, Michal; Jensen, Hans Jørgen Aagaard; Saue, Trond.

Afiliação

Knecht S; Algorithmiq Ltd, Kanavakatu 3C, FI-00160 Helsinki, Finland.
Repisky M; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT-The Arctic University of Norway, N-9037 Tromsø, Norway.
Jensen HJA; Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense M, Denmark.
Saue T; Laboratoire de Chimie et Physique Quantiques (CNRS UMR 5626), Université Toulouse III - Paul Sabatier, 118 Route de Narbonne, F-31062 Toulouse Cedex, France.

J Chem Phys ; 157(11): 114106, 2022 Sep 21.

Article em En | MEDLINE | ID: mdl-36137811

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2022 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2022 Tipo de documento: Article