DIABATIC ANALYSIS OF THE ELECTRONIC STATES OF HYDROGEN-CHLORIDE

Citation
R. Liyanage et al., DIABATIC ANALYSIS OF THE ELECTRONIC STATES OF HYDROGEN-CHLORIDE, The Journal of chemical physics, 109(19), 1998, pp. 8374-8387
Citations number
25
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
109
Issue
19
Year of publication
1998
Pages
8374 - 8387
Database
ISI
SICI code
0021-9606(1998)109:19<8374:DAOTES>2.0.ZU;2-V
Abstract
An effective Hamiltonian method was used to deperturb the (X (2)Pi(i)) 4p sigma and (X (2)Pi(i))4p pi Rydberg states and the V(1)Sigma(+) val ence state of HCl and DCl. A least-squares fit of the eigenvalues of t he Hamiltonian to the experimental term energies was performed, and th e zero-order diabatic characters of the basis states were determined. These deperturbed states were used to fit the observed h-doublings, to predict the energies of unknown states, to model spectroscopic intens ity anomalies, and to explain the spin-orbit branching ratio for predi ssociation. (C) 1998 American Institute of Physics. [S0021-9606(98)009 39-8].