Method of local-scaling transformations and density-functional theory in quantum chemistry
โ Scribed by Ivan Zh. Petkov; Mario V. Stoitsov; Eugene S. Kryachko
- Publisher
- John Wiley and Sons
- Year
- 1986
- Tongue
- English
- Weight
- 642 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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 HartreeแFock level are constructed. The emphasis
The aim of this article is to present in a way accessible to most quantum chemists a general mathematical method which consists in deforming wave functions ลฝ . and density functions in the spirit of the local scaling transformation . This deformation method allows us to obtain several new results, i