A general analytic procedure for calculating two-centre integrals involving the one-electron dipolar coupling operator and Slater atomic orbitals

Analytic expressions are derived for the hybrid-type two-centre matrix elements of the one-electron dipolar coupling operator between Slater atomic orbitals. The method used is of wide applicability. The matrix elements of interest are written in terms of a generalized form of overlap integral. The overlap integrals are evaluated using the convolution theorem/contour integration technique. Computational results are discussed and times given.