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The Kohn-Sham kinetic energy density as indicator of the electron localization: Atomic shell structure

✍ Scribed by Navarrete-López, Alejandra M.; Garza, Jorge; Vargas, Rubicelia


Book ID
120348611
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
404 KB
Volume
128
Category
Article
ISSN
0021-9606

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Kohn-Sham equations with constrained ele
✍ Tomasz Adam Wesolowski; Jacques Weber 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 218 KB 👁 2 views

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