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A density functional for the correlation energy, deduced in the framework of the correlation factor approach
Author(s) -
Moscardó Federico,
SanFabián Emilio
Publication year - 1991
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560400105
Subject(s) - correlation , simplicity , polarization (electrochemistry) , statistical physics , spin density , function (biology) , wave function , correlation function (quantum field theory) , physics , expression (computer science) , energy density , orbital free density functional theory , density functional theory , quantum mechanics , mathematics , local density approximation , theoretical physics , condensed matter physics , chemistry , geometry , computer science , evolutionary biology , dielectric , biology , programming language
An approximate density functional is deduced from a wave function within the correlation factor method. The new functional does not include terms depending on the gradient of the density, but shows the simplicity of local density functionals without spin polarization. However, it includes correctly the inhomogeneity effects and, also, the nonlocal nature of an electronic system. The approach adopted here stresses the goodness of the expression taken by Colle and Salvetti for building a correlation factor and, at the same time, allows us to gain light on the nature of the deficiencies of those functionals obtained, up to now, from the perspective of the Hohenberg and Kohn theorem.