ROOTHAAN-HARTREE-FOCK GROUND-STATE ATOMIC WAVE-FUNCTIONS - SLATER-TYPE ORBITAL EXPANSIONS AND EXPECTATION VALUES FOR Z=2-54

Roothaan-Hartree-Fock orbitals expressed in a Slater-type basis are reported for the ground states of He through Xe. Energy accuracy ranges between 8 and 10 significant figures, reducing by between 21 and 2770 times the energy errors of the previous such compilation (E. Clementi and C. Roetti, Atomic Data and Nuclear Data Tables 14, 177, 1974). For each atom, the total energy, kinetic energy, potential energy, virial ratio, electron density at the nucleus, and the Kato cusp are given together with radial expectation values 〈rn〉 with n from -3 to 2 for each orbital, orbital energies, and orbital expansion coefficients. © 1993 Academic Press. All rights reserved.