Variational principles for discontinuous wave functions and the independent particle model of electronic structure

Eduardo V. Ludeña

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

6 Citas (Scopus)

Resumen

Using the variational method advanced by McCavert and Rudge, we obtain the independent particle model variational principle for loge localized discontinuous wave functions. The transformation of the variational expressions into matrix form when the loge localized discontinuous orbitals are expanded in finite basis sets is discussed. The simplifications brought about by this new method in the evaluation of molecular integrals are indicated.

Idioma originalInglés
Páginas (desde-hasta)1069-1085
Número de páginas17
PublicaciónInternational Journal of Quantum Chemistry
Volumen9
N.º6
DOI
EstadoPublicada - nov. 1975
Publicado de forma externa

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