Variational solution of the Dirac-Coulomb equation using explicitly correlated wavefunctions. Matrix elements and radial integrals

摘要

An algorithm for the evaluation of two-electron integrals appearing in an implementation of the Hylleraas-CI method for solving the Dirac-Coulomb eigenvalue problem is presented. All integrals have been expressed analytically, though in some cases as infinite series. [References: 16]