ROTATION-VIBRATIONAL STATES OF H-3(+) USING HYPERSPHERICAL COORDINATES AND HARMONICS

Authors
ALIJAH A HINZE J WOLNIEWICZ L
Citation
A. Alijah et al., ROTATION-VIBRATIONAL STATES OF H-3(+) USING HYPERSPHERICAL COORDINATES AND HARMONICS, Berichte der Bunsengesellschaft fur Physikalische Chemie, 99(3), 1995, pp. 251-253
Citations number
11
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
ISSN journal
00059021 → ACNP
Volume
99
Issue
3
Year of publication
1995
Pages
251 - 253
Database
ISI
SICI code
0005-9021(1995)99:3<251:RSOHUH>2.0.ZU;2-A
Abstract
A new method for calculating rotation-vibrational states of triatomic molecules is presented. It is based on an expansion of the wavefunctio n in terms of hyperspherical harmonics, which cover five coordinates, and numerical integration of the resulting see of differential equatio ns in the remaining coordinate, the hyperradius rho. The method is app lied to H-3(+). Here we compare the results for two electronic surface s, the Meyer-Botschwina-Burton surface and the new surface by Kutzelni gg and coworkers.