Quantum-defect theory of double-minimum states in H/sub 2/
Journal Article
·
· Phys. Rev. Lett.; (United States)
Scattering theory is used to calculate the vibronic energy levels of the interacting double-minimum states in H/sub 2/. The calculation is based on the accurate ab initio fixed-nuclei energies of Wolniewicz and Dressler. From these a nondiagonal reaction matrix is extracted whose elements are nuclear-coordinate dependent and involve singly and doubly excited channels. The treatment bypasses the state-by-state evaluation of vibronic coupling, and yields in principle the entire vibronic Rydberg spectrum associated with the H/sub 2/ /sup +/ 1sigma/sub g/ and 1sigma/sub u/ cores. The first forty experimental levels are reproduced quite accurately.
- Research Organization:
- Laboratoire de Photophysique Moleculaire du Centre National de la Recherche Scientifique, Universite Paris-Sud, 91405 Orsay, France
- OSTI ID:
- 5464600
- Journal Information:
- Phys. Rev. Lett.; (United States), Journal Name: Phys. Rev. Lett.; (United States) Vol. 59:12; ISSN PRLTA
- Country of Publication:
- United States
- Language:
- English
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