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The exchange-correlation potential of DFT obtained from a semiempirically fine-tuned Hartree-Fock density for inhomogeneous electron liquids
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| Abstract |
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| The present authors have given an exact theory of the exchange-correlation potential V-xc(r) in terms of (i) the exact ground-state electron density n(r) and (ii) the idempotent Dirac density matrix gamma(r,r') generated by the DFT one-body potential V(r), having n(r) as its diagonal element. Here, we display two approximate consequences: (a) a form of V-xc(r) generated by the semiempirically fine-tuned HF density of Cordero et al. (N.A. Cordero, N.H. March, and J.A. Alonso, Phys. Rev. A 75, 052502 (2007)) and (b) the exchange-only potential V-x(r) determined solely by the HF ground state density for the Be atom. |
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English
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Physics and chemistry of liquids. - London | |
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London : 2012
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0031-9104
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50:1(2012), p. 128-130
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000302318900012
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