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 | |
| 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
- Chemistry(all)
- Organic Chemistry