Exchange-correlation effects in interatomic energies for pure density functionals and their application to the molecular energy prediction

Exchange-correlation effects in interatomic energies for pure density functionals and their application to the molecular energy prediction

© 2024 The Author(s). Journal of Computational Chemistry published by Wiley Periodicals LLC.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 45(2024), 27 vom: 15. Aug., Seite 2270-2283
1. Verfasser: Tognetti, Vincent (VerfasserIn)
Weitere Verfasser: Joubert, Laurent
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2024
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article exchange‐correlation effects interacting quantum atoms (IQA) linear and non‐linear models quantum theory of atoms‐in‐molecules (QTAIM) source function
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