The three-center integral of 12-1, with each electron described by a two-center product of integer-n Slater-type orbitals, is evaluated analytically. The result, obtained via the Fourier-transform convolution theorem, is an infinite sum involving spherical harmonics for the internuclear angular coordinates and exponential integral and spherical Bessel-type functions for the internuclear distances. The two-center exchange integral is evaluated as a special case. All results given are for general values of the n, l, m, and ζ parameters of the Slater-type orbitals.
|Number of pages||10|
|Journal||Journal of Chemical Physics|
|State||Published - 1968|