Local-scaling transformation version of
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LudeοΏ½a, E. V.; Karasiev, V.; LοΏ½pez-Boada, R.; Valderrama, E.; Maldonado, J.
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Article
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1999
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John Wiley and Sons
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English
β 382 KB
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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