A DFT variational approach to Hooke's atom based on local-scaling transformations

Anton Artemyev, Eduardo V. Ludea, Valentin Karasiev

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

13 Citas (Scopus)

Resumen

The local-scaling transformation version of density functional theory, LS-DFT, is employed in order to construct energy functionals for Hooke's atom. The components of the energy are analyzed and the resulting exchange and correlation potentials are compared with the exact ones. In addition, the representation of the exact one-particle density in terms of the various components of the total energy density is discussed.

Idioma originalInglés
Páginas (desde-hasta)47-55
Número de páginas9
PublicaciónJournal of Molecular Structure: THEOCHEM
Volumen580
N.º1-3
DOI
EstadoPublicada - 29 mar. 2002
Publicado de forma externa

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