Highly accurate Gaussian basis sets for the atoms from H through Xe

An improved generator coordinate Hartree-Fock (IGCHF) method is used to generate highly accurate Gaussian basis sets (GBSs) for the atoms from H (Z = 1) through Xe (Z = 54). In this method the Griffin-Hill-Wheeler-Hartree-Fock equations are integrated using the integral discretization technique. From these basis sets the ground-state HF total energies are calculated and compared with the corresponding values obtained with GBSs of the same size, generated with the original generator coordinate Hartree-Fock method, and with a numerical HF method. (C) 2003 Wiley Periodicals, Inc.