J. Pacansky, A.D. McLean, et al.
Journal of Physical Chemistry
Basis-set expansions of approximate Hartree-Fock orbitals are given for atoms and ions for Z = 55-92. Expansions in Slater-type functions of double-zeta- and triple-zeta-valence dimensions are computed from the formalism of Roothaan and Bagus. Radial expectation values 〈rn〉, n from -3 to 2, for each orbital are given. Comparisons of expansion wave functions with numerical Hartree-Fock and numerical Dirac-Fock results for mercury are presented. © 1981.
J. Pacansky, A.D. McLean, et al.
Journal of Physical Chemistry
H.P. Lüthi, A.D. McLean
Chemical Physics Letters
A.D. McLean, B.H. Lengsfield III, et al.
The Journal of Chemical Physics
D.J. Defrees, J.S. Binkley, et al.
The Journal of Chemical Physics