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Method of local-scaling transformations and density-functional theory in quantum chemistry

โœ 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

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๐Ÿ“œ SIMILAR VOLUMES


Local-scaling transformation version of
โœ Lude๏ฟฝa, E. V.; Karasiev, V.; L๏ฟฝpez-Boada, R.; Valderrama, E.; Maldonado, J. ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 382 KB ๐Ÿ‘ 2 views

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 HartreeแސFock level are constructed. The emphasis

Utilization of deformations in molecular
โœ Olivier Bokanowski; Benoรฎt Grebert ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 217 KB ๐Ÿ‘ 2 views

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