Density Functional Theory of Electronic
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Kohn, W.; Becke, A. D.; Parr, R. G.
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Article
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1996
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American Chemical Society
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English
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Density functional theory (DFT) is a (in principle exact) theory of electronic structure, based on the electron density distribution n(r), instead of the many-electron wave function ฮจ(r 1 ,r 2 ,r 3 ,...). Having been widely used for over 30 years by physicists working on the electronic structure of