Universal systematic sequence of even-tempered Gaussian primitive functions in electronic correlation studies

摘要: The possibility of developing a universal systematic sequence eventempered Gaussian primitive functions for atomic and molecular electronic structure studies is examined. radial beryllium-like ions are used to demonstrate this approach both within the Hartree-Fock model by including correlation effects. Correlation energies computed using diagrammatic many-body perturbation theory. Hartree extrapolation procedure obtain empirical upper bounds basis set limit Schmidt Ruedenberg employed lower limit. convergence properties calculations with respect size