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A correlation-energy formula due to Colle and Salvetti Theor. Chim. Acta 37, 329 (1975), in which the correlation energy density is expressed in terms of the electron density and a Laplacian of the second-order Hartree-Fock density matrix, is restated as a formula involving the density and local kinetic-energy density. On insertion of gradient expansions for the local kinetic-energy density, density-functional formulas for the correlation energy and correlation potential are then obtained. Through numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, it is demonstrated that these formulas, like the original Colle-Salvetti formulas, give correlation energies within a few percent.
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Lee et al. (Fri,) studied this question.
www.synapsesocial.com/papers/6941e3710d7f3d181b49b582 — DOI: https://doi.org/10.1103/physrevb.37.785
Chengteh Lee
Weitao Yang
Robert G. Parr
Physical review. B, Condensed matter
University of North Carolina at Chapel Hill
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