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.
- Density functional theory
- Explicit kinetic energy functionals
- Kinetic energy density functionals
- Kinetic energy of first-row atoms
- Local-scaling transformations
ASJC Scopus subject areas
- Organic Chemistry