Multichannel quantum-defect theory of double-minimum [sup 1][Sigma][sub [ital g]][sup +] states in H[sub 2]. II. Vibronic-energy levels
- Department of Physics, University of New Brunswick, P.O. Box 4400, Fredericton, New Brunswick, E3B 5A3 (Canada)
- Laboratoire Aime Cotton du CNRS, Universite de Paris-Sud, 91405 Orsay (France)
In the preceding paper [Phys. Rev. A 49, 3888 (1994)] we obtained the quantum-defect matrix of the strongly interacting double-minimum states of H[sub 2] by fitting to the [ital ab] [ital initio] clamped-nuclei electronic energies of Wolniewicz and Dressler [J. Chem. Phys. 82, 3292 (1985), and private communication]. Yu, Dressler, and Wolniewicz have calculated the vibronic 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 treatment 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.
- OSTI ID:
- 7307594
- Journal Information:
- Physical Review A; (United States), Journal Name: Physical Review A; (United States) Vol. 49:6; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
Similar Records
Multichannel quantum-defect theory of double-minimum [sup 1][Sigma][sub [ital g]][sup +] states in H[sub 2]. I. Potential-energy curves
Quantum-defect theory of double-minimum states in H/sub 2/