Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. II. N^sub 2^, O^sub 2^, F^sub 2^, and Ne^sub 2

Electron localizability indicators based on the electron pair density ELI-D and ELIA Electron localizability indicators ELI-D and ELIA based on the electron pair density are studied for the correlated ground-state wavefunctions of ..., ..., ..., and ... diatomics. Different basis sets and reference...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of computational chemistry 2010-09, Vol.31 (12), p.2273
Hauptverfasser:	Bezugly, Viktor, Wielgus, Pawel, Kohout, Miroslav, Wagner, Frank R
Format:	Artikel
Sprache:	eng
Schlagworte:	Analytical chemistry Chemical bonds Correlation analysis Electrons
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!