The application of approximate density f
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Otto F. Sankey; Alexander A. Demkov; Wolfgang Windl; JΓΌrgen H. Fritsch; James P.
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Article
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1998
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John Wiley and Sons
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English
β 341 KB
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The application of density functional theory to complex systems requires simplifications. We describe our methodology, which uses the Harris functional, and its self-consistent generalization to ionic systems as well as its extension to hydrogen-bonded systems. We give brief examples of the applicat