Approximate kinetic energy density functionals generated by local-scaling transformations

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.

Año de publicación:

1996

Keywords:

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

Fuente:

scopus