B.H. Lengsfield III
The Journal of Chemical Physics
The dipole moment function for the X 2Σ+ state of AlO has been determined by a convergent sequence of MCSCF and CI calculations. It is nearly constant between R = 3.0 and 4.Oa0 because of a gradual transition from Al+O- to Al ++O--. This leads to a small vibrational band oscillator strength of f01 = (4.0±3.0) × 10-7. Several MCSCF models were tested for their ability to describe the charge transfer process, and the best model was used to study the B 2Σ + state AlO. © 1982 American Institute of Physics.
B.H. Lengsfield III
The Journal of Chemical Physics
Roberta P. Saxon, B. Liu
The Journal of Chemical Physics
R.E. Olson, B. Liu
Chemical Physics Letters
B. Liu, A.D. McLean
The Journal of Chemical Physics