Approximate kinetic energy density functionals generated by local-scaling transformations

E. V. Ludeña; R. López-Boada; R. Pino

doi:10.1139/v96-123

Approximate kinetic energy density functionals generated by local-scaling transformations

E. V. Ludeña, R. López-Boada, R. Pino

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

Different stages in the development of density functional theory are succinctly reviewed for the purpose of tracing the origin of the local-scaling transformation version of density functional theory. Explicit kinetic energy functionals are generated within this theory. These functionals are analyzed in terms of several approximations to the local-scaling function and are applied to a few selected first-row atoms.

Original language	English (US)
Pages (from-to)	1097-1105
Number of pages	9
Journal	Canadian Journal of Chemistry
Volume	74
Issue number	6
DOIs	https://doi.org/10.1139/v96-123
State	Published - 1996

Keywords

Density functional theory
Explicit kinetic energy functionals
Kinetic energy density functionals
Kinetic energy of first-row atoms
Local-scaling transformations

ASJC Scopus subject areas

Catalysis
General Chemistry
Organic Chemistry

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abstract = "Different stages in the development of density functional theory are succinctly reviewed for the purpose of tracing the origin of the local-scaling transformation version of density functional theory. Explicit kinetic energy functionals are generated within this theory. These functionals are analyzed in terms of several approximations to the local-scaling function and are applied to a few selected first-row atoms.",

keywords = "Density functional theory, Explicit kinetic energy functionals, Kinetic energy density functionals, Kinetic energy of first-row atoms, Local-scaling transformations",

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AU - Ludeña, E. V.

AU - López-Boada, R.

AU - Pino, R.

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AB - Different stages in the development of density functional theory are succinctly reviewed for the purpose of tracing the origin of the local-scaling transformation version of density functional theory. Explicit kinetic energy functionals are generated within this theory. These functionals are analyzed in terms of several approximations to the local-scaling function and are applied to a few selected first-row atoms.

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KW - Kinetic energy density functionals

KW - Kinetic energy of first-row atoms

KW - Local-scaling transformations

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Approximate kinetic energy density functionals generated by local-scaling transformations

Abstract

Keywords

ASJC Scopus subject areas

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