Abstract

ABSTRACTTypically the quality of an approximate density functional is evaluated by a direct comparison of its predictions in a given test case to exact data obtained by computer simulations. An important example for such an approach is the test of equilibrium structure of a simple fluid as measured by the pair distribution function g(r) or the cavity correlation function y(r). However, the combination of exact density profiles and the analytical structure of density functional theory allows one to determine and potentially improve the quality of a functional in a more sophisticatedway.

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