Peter A. Straub, A.D. McLean
Theoretica Chimica Acta
Second-order configuration interaction (SOCI) calculations on Si2 and C2 in their lowest 3Σ-g and 3Πu, states, combined with experimental data for C2, lead to a prediction of a near certain 3Σg-Si2 ground state with Te = 180 ± 200 cm-1. Enough computed information is now available to guide an experimental search for the bands in the 3Σ-g to 3Πu electronic transition. © 1987.
Peter A. Straub, A.D. McLean
Theoretica Chimica Acta
A.D. McLean
The Journal of Chemical Physics
Brian T. Luke, Jack R. Collins, et al.
JACS
A.D. McLean, M. Yoshimine
The Journal of Chemical Physics