Electronic-structure kinetic-energy functional based on atomic local-scaling transformations

V. V. Karasiev, E. V. Ludeña, A. N. Artemyev

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

27 Citas (Scopus)

Resumen

The electronic-structure calculations of molecules were analyzed using explicit noninteracting kinetic-energy functionals. The functionals were created using local-scaling transformations (LST). Diatomic molecules were tested to explore the characteristics of the kinetic-energy functionals. The end-results produced by these systems was found to be more accurate and satisfactory.

Idioma originalInglés
Páginas (desde-hasta)62510-62511
Número de páginas2
PublicaciónPhysical Review A
Volumen62
N.º6
DOI
EstadoPublicada - dic. 2000
Publicado de forma externa

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