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Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange

✍ Scribed by Ryabinkin, Ilya G.; Kananenka, Alexei A.; Staroverov, Viktor N.

Book ID
120507802
Publisher
The American Physical Society
Year
2013
Tongue
English
Weight
363 KB
Volume
111
Category
Article
ISSN
0031-9007

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πŸ“œ SIMILAR VOLUMES

Structure of the optimized effective Koh
Structure of the optimized effective Kohnβ€”Sham exchange potential and its gradient approximations
✍ Oleg Gritsenko; Robert van Leeuwen; Evert Jan Baerends πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 880 KB

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