Rational approximants to evaluate four-center electron repulsion integrals for \(1s\) hydrogen Slater type functions (Q2567241)

The deal of the paper is to give an evaluation for the ``four-center two-electron integrals''. Following the ideas of \textit{Y. Shavitt} and \textit{P. Karplus} [``Gaussian-transform for molecular integrals. 1: Formulation for energy integrals'', J. Chem. Phys. 43, 398--415 (1965)], the integrand is replaced by a rational approximant and then the method of residues is applied. The choice of form for the rational approximant is justifyid in Section 4 of the paper. Note that the purposed approximant depends on three parameters. The authors suggest two different ways for the choice of these parameters: a pure interpolation and a Hermite interpolant strategy. For each of them many numerical examples are presented.