Kohn-Sham equations with constrained ele
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Tomasz Adam Wesolowski; Jacques Weber
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Article
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1997
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John Wiley and Sons
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English
⚖ 218 KB
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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