The calculation of the vibrational states of SO2 in the (C)over-tilde(1)B(2) electronic state up to the SO((3)Sigma(-))+O(P-3) dissociation limit

Citation
O. Bludsky et al., The calculation of the vibrational states of SO2 in the (C)over-tilde(1)B(2) electronic state up to the SO((3)Sigma(-))+O(P-3) dissociation limit, CHEM P LETT, 318(6), 2000, pp. 607-613
Citations number
26
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
318
Issue
6
Year of publication
2000
Pages
607 - 613
Database
ISI
SICI code
0009-2614(20000303)318:6<607:TCOTVS>2.0.ZU;2-M
Abstract
In a previous paper [P. Nachtigall, J. Hrusak, O. Bludsky, S. Iwata, Chem. Phys. Lett 303 (1999) 441], we reported an investigation of the stationary points along the dissociation path of (C) over tilde B-2 SO2, carried out w ith high-level ab initio methods. Here we calculate the vibrational energy levels up to the SO((3)Sigma(-)) + O(P-3) dissociation limit using a scaled ab initio potential energy surface. The scaled potential energy surface is of near-spectroscopic accuracy below the dissociation limit and has a real istic behaviour along the dissociation path. (C) 2000 Elsevier Science B.V. All rights reserved.