MODEL POTENTIAL CALCULATIONS FOR THE EXCITED AND RYDBERG STATES OF THE NA-2(- POTENTIAL CURVES, DIPOLE AND QUADRUPOLE TRANSITION MOMENTS() MOLECULAR ION )

Citation
S. Magnier et F. Masnouseeuws, MODEL POTENTIAL CALCULATIONS FOR THE EXCITED AND RYDBERG STATES OF THE NA-2(- POTENTIAL CURVES, DIPOLE AND QUADRUPOLE TRANSITION MOMENTS() MOLECULAR ION ), Molecular physics, 89(3), 1996, pp. 711-735
Citations number
38
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
89
Issue
3
Year of publication
1996
Pages
711 - 735
Database
ISI
SICI code
0026-8976(1996)89:3<711:MPCFTE>2.0.ZU;2-S
Abstract
Molecular potential curves for many excited states of the Na-2 molecul e are presently available for a wide range of internuclear distances, in the framework of a two-electron model potential method. The energie s were obtained through an extensive configuration interaction procedu re using Na-2(+) orbitals, and the quality of the results was controll ed by the accuracy of the wavefunctions of the molecular ion. In this work, computed potential energy curves and transition moments are pres ented for the ground, excited and Rydberg Sigma, Pi and Delta states o f Na-2(+) up to the Na(7i)+Na+ dissociation limit. The accuracy of the first excited states is checked by comparing with available experimen tal data. Figures are presented for the molecular quantum defects as a function of internuclear distance, showing an interesting pattern of pseudo-crossings.