An integral for second-order multiple scattering perturbation theory

This paper presents the closed form evaluation of a six-dimensional integral. The integral arises in the application to many-electron systems of a multiple scattering perturbation expansion at second order when formulated in fourier space. The resulting function can be used for the calculation of both the electron density and the effective one-electron potential in an SCF calculation. The closed form expression derived here greatly facilitates these calculations. In addition, the evaluated integral can be used for the computation of second-order corrections to the ''optimized Thomas-Fermi theory.'' (C) 1997 Academic Press