An integral for FHNC calculations

  • Authors:

  • Gary G. Hoffman

  • Affiliations:

  • Department of Chemistry and Biochemistry, Elizabethtown College, Elizabethtown, PA

  • Venue:
  • Journal of Computational Physics
  • Year:
  • 2004

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Abstract

In considering a modified approximation scheme for Fermi hypernetted chain (FHNC) theory, an integral arose that needed to be evaluated on a routine basis. By evaluating a portion of the integral in closed form, the time required for computation of the complete integral was considerably reduced. This paper presents the closed form evaluation along with some calculations using the result on the electron gas.