Phys. Rev. A 63, 052109 (2001) [6 pages]Approximate local-density functional, partially complying with exchange-correlation hole requirementsReceived 24 April 2000; revised 24 July 2000; published 18 April 2001 An approximate local-density functional, quite similar to the well-known Colle-Salvetti functional and complying with a basic requirement of the exchange-correlation hole, is derived and represented as a simple polynomial. This expression gives an essentially correct behavior for the Coulomb hole. Test calculations on some two-electron atoms lead to energy values closer than 0.05% to the experimental ones. The expression can be further improved by taking into account the effects of the density gradient. © 2001 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevA.63.052109
DOI:
10.1103/PhysRevA.63.052109
PACS:
31.15.Ew
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