Abstract
Abstract In a previous paper [W. P. Kraemer and P. R. Bunker, J. Mol. Spectrosc. 101, 379–394 (1983)] the results of configuration interaction calculations, performed in order to investigate the bending potential of the molecular ion HOC+, were reported. In the present paper we give the results of such calculations including additional points on the potential surface chosen mainly in order to study the HO and OC stretching potentials at longer bond lengths. We have determined the rotation-vibration energies from this extended potential surface using a newly written computer program that diagonalizes the nonrigid bender Hamiltonian. We compare the results with those obtained using the second-order rotation-vibration perturbation Hamiltonian, the rigid bender Hamiltonian, and the semirigid bender Hamiltonian.
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