Analytic static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas

نویسندگان

  • Paola Gori-Giorgi
  • Francesco Sacchetti
  • Giovanni B. Bachelet
چکیده

We propose a simple and accurate model for the electron static structure factors ~and corresponding paircorrelation functions! of the three-dimensional unpolarized homogeneous electron gas. Our spin-resolved paircorrelation function is built up with a combination of analytic constraints and fitting procedures to quantum Monte Carlo data, and, in comparison to previous attempts, ~i! fulfills more known integral and differential properties of the exact pair-correlation function, ~ii! is analytic both in real and in reciprocal space, and ~iii! accurately interpolates the newest, extensive diffusion–Monte Carlo data of Ortiz, Harris, and Ballone @Phys. Rev. Lett. 82, 5317 ~1999!#. This can be of interest for the study of electron correlations of real materials and for the construction of new exchange and correlation energy density functionals.

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تاریخ انتشار 2000