MOLECULAR INTEGRALS OVER SLATER ORBITALS

We have improved the outlook for ζ-function computations of molecular integrals over Slater orbitals by a new technique to deal with slow convergence at equal internuclear distances. It is explained by application to a prototype. In one example, ten-figure accuracy results from 60 terms of a power series in the new formulation, where 1010 terms containing complicated functions would have previously been needed. © 1990.