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Local Density Functional Theory of Atoms and Molecules

✍ Scribed by Robert G. Parr, Shridhar R. Gadre and Libero J. Bartolotti


Book ID
123655876
Publisher
National Academy of Sciences
Year
1979
Tongue
English
Weight
843 KB
Volume
76
Category
Article
ISSN
0027-8424

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Local-scaling transformation version of
✍ LudeοΏ½a, E. V.; Karasiev, V.; LοΏ½pez-Boada, R.; Valderrama, E.; Maldonado, J. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 382 KB πŸ‘ 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 Hartree᎐Fock level are constructed. The emphasis