ABSTRACT

In the preceding paper [Phys. Rev. A 49, 4353 (1994)] we obtained the quantum-defect matrix of the strongly interacting double-minimum states of H2 by fitting to the ab initio clamped-nuclei electronic energies of Wolniewicz and Dressier [J. Chem. Phys. 82, 3292 (1985), and private communication]. Yu, Dressier, and Wolniewicz have calculated the vibronte energies of the corresponding states using an approach involving the state -by-state evaluation of vibronic coupling, and the solution of a set of coupled equations. Here we calculate the vibronic energies using our quantum-defect matrix in a version of scattering theory known as multichannel quantum-defect theory (MQDT). This less traditional treat-ment involves both singly and doubly excited channels and reproduces the vibronic energies to almost the same precision as the coupled-equations approach. In addition, several refinements have been made to MQDT.

PACS number(s): 33.10.Cs, 33.10.Lb, 34.10.+ x, 34.80.Kw