An analysis of the structure of the optimized effective Kohr-Sham exchange potential v, and its gradient approximations is presented. The potential is decomposed into the Slater potential us and the response of us to density variations, vresp. The latter exhibits peaks that reflect the atomic shell
โฆ LIBER โฆ
Parameterized effective potential for molecules and its optimization in the single-determinant approximation
โ Scribed by V. N. Glushkov; S. I. Fesenko; A. Ya. Tsaune
- Book ID
- 110143268
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2005
- Tongue
- English
- Weight
- 150 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0030-400X
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