ON THE CONSTRUCTION AND USE OF AB-INITIO QUANTUM-DEFECT FUNCTIONS FORH2O

Citation
G. Theodorakopoulos et al., ON THE CONSTRUCTION AND USE OF AB-INITIO QUANTUM-DEFECT FUNCTIONS FORH2O, Journal of physics. B, Atomic molecular and optical physics, 29(20), 1996, pp. 4543-4564
Citations number
33
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
29
Issue
20
Year of publication
1996
Pages
4543 - 4564
Database
ISI
SICI code
0953-4075(1996)29:20<4543:OTCAUO>2.0.ZU;2-W
Abstract
Ab initio adiabatic and diabatic symmetric stretch/bend potentials of Rydberg states of H2O have been employed for calculations of correspon ding quantum-defect functions. These are in turn employed for the gene ration of the potential-energy surfaces of higher-lying Rydberg states , for the calculation of vibrational levels of the 3p B-1(2) linear st ate and for the calculation of autoionization line widths in the nd(10 0) series. The results are generally in good agreement with existing e xperimental information.