ROTATION-VIBRATIONAL STATES OF D-3(+) COMPUTED USING HYPERSPHERICAL HARMONICS

Citation
A. Alijah et al., ROTATION-VIBRATIONAL STATES OF D-3(+) COMPUTED USING HYPERSPHERICAL HARMONICS, Molecular physics, 85(6), 1995, pp. 1125-1150
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
85
Issue
6
Year of publication
1995
Pages
1125 - 1150
Database
ISI
SICI code
0026-8976(1995)85:6<1125:RSODCU>2.0.ZU;2-M
Abstract
An extensive collection is presented of ro vibrational term values for D-3(+) computed from the highly accurate RKJK potential surface. Band origins are given for energies below 10000 cm(-1). The analysis of th e rotational structure includes all vibrational states with up to thre efold vibrational excitation, and term values are given up to J = 8 fo r the states (upsilon(1), upsilon(2)) = (0, 0), (0, 1), (1, 0), (0, 2) , (1, 1) and (2, 0), up to J = 6 for the states (2, 1) and (3, 0) and up to J = 5 for the states (0, 3) and (1, 2). The results obtained her e are compared with the available experimentally observed transition e nergies. Of the 11 observed but so far unidentified transitions, two c ould now be assigned uniquely.