Charge distribution analysis in terms of Berlin's binding and antibinding regions for Li2 and F2

Marilena Zuvia, Eduardo V. Ludeña

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

2 Citas (Scopus)

Resumen

The MCSCF wave functions of Das for Li2, and Das and Wahl for F2, have been analyzed in terms of Berlin's binding and antibinding regions. The effect of electronic correlation on the charge distributions in these regions is studied. The process of bond formation in going from separated atoms to the correlated molecule is also discussed with reference to Berlin's regions.

Idioma originalInglés
Páginas (desde-hasta)1-11
Número de páginas11
PublicaciónInternational Journal of Quantum Chemistry
Volumen14
N.º1
DOI
EstadoPublicada - jul. 1978
Publicado de forma externa

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