We analyze differences between ground-state electron densities of a model molecular complex obtained by solving the Kohn᎐Sham equations with constrained electron density Ž .w Ž .x KSCED Wesolowski and Warshel, J. Phys. Chem. 97, 8050 1993 and as a solution of the standard Kohn᎐Sham equations applied
Electron correlation effects on the shape of the Kohn–Sham molecular orbital
✍ Scribed by Oleg V. Gritsenko; Evert Jan Baerends
- Publisher
- Springer
- Year
- 1997
- Tongue
- English
- Weight
- 672 KB
- Volume
- 96
- Category
- Article
- ISSN
- 1432-2234
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