Applications of the local-scaling transformation version of density functional theory, LS-DFT, to atoms and diatomic molecules are presented. In the case of atoms, explicit kinetic-and exchange-energy functionals for first-and second-row atoms at the HartreeαFock level are constructed. The emphasis
β¦ LIBER β¦
A parametrization of the TFDW density for atoms and diatomic quasimolecules
β Scribed by A. Scheidemann; R. M. Dreizler
- Book ID
- 112538224
- Publisher
- Springer
- Year
- 1986
- Tongue
- English
- Weight
- 413 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1434-6060
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