A.D. McLean, G.H. Loew, et al.
Molecular Physics
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.
A.D. McLean, G.H. Loew, et al.
Molecular Physics
A.D. McLean, P.R. Bunker, et al.
The Journal of Chemical Physics
K. Balasubramanian, A.D. McLean
The Journal of Chemical Physics
M. Yoshimine, A.D. McLean, et al.
JACS