Abstract
Formulas for two-center exchange integrals using Slater-type orbitals with equal screening constants are produced by employing computer algebra in the implementation of the Lowdin alpha function method which expands displaced orbitals in an infinite series of spherical harmonics. Our use of a C-matrix with integer elements in connection with the alpha function gives exact results for each term of an infinite series in the generated formulas. It is possible to terminate the series for the value of the exchange integral by “extrapolating to infinity” using judiciously chosen rearrangements and expansions of the formulas: as an example the Sugiura formula for 1s orbitals is produced to illustrate the technique.
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