J. Weber, A.D. McLean
JACS
Self consistent field molecular orbital calculations have been carried out for the ground electronic states for diatomic molecules XY, with X, Y=H, F, Cl, Br or I. Basis sets are critically discussed, and computed properties compared with experiment. The correlation between experimental ionization energies and those estimated through the use of Koopmans' theorem is given. © 1974 Springer-Verlag.
J. Weber, A.D. McLean
JACS
Amedeo Palma, Sheldon Green, et al.
The Journal of Chemical Physics
Sergio A. Maluendes, A.D. McLean, et al.
The Journal of Chemical Physics
A.D. McLean, B. Liu
Chemical Physics Letters