Wigner Intracule for the Kellner Helium-Like Ions

نویسندگان

  • PETER M. W. GILL
  • NICHOLAS A. BESLEY
  • DARRAGH P. O’NEILL
چکیده

The Kellner wavefunction for a helium-like ion is the Hartree–Fock solution wherein the orbital is a Slater-type function with the variationally optimal exponent Z 5/16. The Wigner intracule W(u, v) of a system gives the joint quasiprobability of finding two electrons whose position space and momentum space separations are r1 r2 u and p1 p2 v, respectively. In this article, we extend Wigner intracule theory beyond Gaussian-type functions by deriving W(u, v) for the Kellner helium-like ions. Although we have not been able to express W(u, v) in closed form, our formulation reduces it to a two-dimensional integral that can be treated by quadrature. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem 100: 166–171, 2004

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تاریخ انتشار 2004