Analysis of dynamical and nondynamical components of electron correlation energy by means of local-scaling density-functional theory

E. Valderrama, E. V. Ludeña, J. Hinze

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

30 Citas (Scopus)

Resumen

The partitioning of electron correlation energy into dynamical and nondynamical components is examined in the context of the local-scaling transformation version of density-functional theory and its connection with the Hohenberg-Kohn-Sham density-functional-theory definition of electron correlation is discussed. The relative importance of these components is analyzed with reference to the helium atom and its isoelectronic series. The present results attest to the preponderantly dynamical character of the recovered correlation energy.

Idioma originalInglés
Páginas (desde-hasta)9227-9235
Número de páginas9
PublicaciónJournal of Chemical Physics
Volumen106
N.º22
DOI
EstadoPublicada - 8 jun. 1997
Publicado de forma externa

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