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Self-Consistent Equations Including Exchange and Correlation Effects Export

Physical Review, Vol. 140, No. 4A. (November 1965), pp. A1133-A1138.

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density-functional-theory solid-state

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From a theory of Hohenberg and Kohn; approximation methods for treating an inhomogeneous system of interacting electrons are developed. These methods are exact for systems of slowly varying or high density. For the ground state; they lead to self-consistent equations analogous to the Hartree and Hartree-Fock equations; respectively. In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials. (The exchange portion of our effective potential differs from that due to Slater by a factor of 2 / 3.) Electronic systems at finite temperatures and in magnetic fields are also treated by similar methods. An appendix deals with a further correction for systems with short-wavelength density oscillations.


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