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Muller'S Exchange-Correlation Energy In Density-Matrix-Functional Theory

PHYSICAL REVIEW A, no. 5 (2007)

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The increasing interest in the Muller density-matrix-functional theory has led us to a systematic mathematical investigation of its properties. This functional is similar to the Hartree-Fock (HF) functional, but with a modified exchange term in which the square of the density matrix gamma(x,x(')) is replaced by the square of gamma(1/2)(x,...更多

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