Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

  title={Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.},
  author={Lee and Yang and Parr},
  journal={Physical review. B, Condensed matter},
  volume={37 2},
  • LeeYangParr
  • Published 15 January 1988
  • Physics
  • Physical review. B, Condensed matter
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… 

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