Publications [#235141] of Weitao Yang

Journal Articles

1. Lee, C; Yang, W; Parr, RG, Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density., Physical review. B, Condensed matter, vol. 37 no. 2 (January, 1988), pp. 785-789, American Physical Society (APS), ISSN 0163-1829 [doi]
   (last updated on 2026/01/17)

   Abstract:
   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. © 1988 The American Physical Society.