Atomic scattering factors of helium-like systems from analytic Hartree–Fock wave functions

Abstract

The most widely used atomic scattering factors are based on numerical Hartree-Fock wave functions, some of which are of low accuracy. Recently a number of analytical Hartree-Fock functions have been published which have a higher accuracy than the older numerical wave functions. By using these amalytical wave functions, there are obtained, in turn, analytical expressions for the scattering factors. These expressions can be readily evaluated at any desired interval of lambda /sup -//sup 1/ sin theta with a higher precision than can the numerically integrated scattering factors. The analytical Hartree- Fock scattering factors for the two-electron series to C/sup 4//sup +/, including the previously unpublished values for H/sup -/ and refined values for He, Be/sup 2//sup +/, and B/sup 3//sup +/ are reported here. In those cases where comparison is possible with recent carefully performed numerical Hartree-Fock calculations (Li/sup +/ and C/sup 4//sup +/), the agreement is excellent. (auth)