Exchange and correlation as a functional of the local density of states
classification
❄️ cond-mat.mtrl-sci
keywords
functionallocalstatescorrelationdensityexchangebecomedecomposition
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A functional $E_{xc}[\rho(\r,\epsilon)]$ is presented, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states. A simple local parametrization scheme is proposed, entirely from first principles, based on the decomposition of the exchange-correlation hole in scattering states of different relative energies. In its practical Kohn-Sham-like form, the single-electron orbitals become the independent variables, and an explicit formula for the functional derivative is obtained.
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