Journal of Chemical Physics, Vol.102, No.1, 262-277, 1995
Accurate Multireference Configuration-Interaction Calculations on the Lowest (1)Sigma(+) and 3-Pi Electronic States of Ca-2, Cn+, Bo+n, and Bo+
Keywords:CORRELATED MOLECULAR CALCULATIONS;LYING VALENCE STATES;GAUSSIAN-BASIS SETS;WAVE-FUNCTIONS;BENCHMARK CALCULATIONS;TRANSITION MOMENTS;DIATOMIC HYDRIDES;GROUND-STATE;BN MOLECULE;SCF METHOD