Structure of the optimized effective Koh
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Oleg Gritsenko; Robert van Leeuwen; Evert Jan Baerends
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Article
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1996
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John Wiley and Sons
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English
⚖ 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