Numerical Evaluation of One-center Four-electron Correlated Integrals--a GPU Approach

Abstract

This research evaluated one center four-electron correlated integrals involving Slater-type functions that arise in a standard Hylleraas treatment of atomic four-electron systems and also for four-electron molecular systems treated in the non-Born-Oppenheimer approach. The purpose of this study was to focus efforts on the two most difficult cases: integrals with five odd powers on the inter-electronic separation distance r[subset]ij, and integrals containing six odd powers of r[subset]ij.