THE ROVIBRATIONAL NU-2 RAMAN-SPECTRUM OF AMMONIA - A COMPARISON OF THEORY AND EXPERIMENT

Authors
WORMER PES OLTHOF EHT ENGELN RAH REUSS J
Citation
Pes. Wormer et al., THE ROVIBRATIONAL NU-2 RAMAN-SPECTRUM OF AMMONIA - A COMPARISON OF THEORY AND EXPERIMENT, Chemical physics, 178(1-3), 1993, pp. 189-206
Citations number
22
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics → ACNP
ISSN journal
03010104
Volume
178
Issue
1-3
Year of publication
1993
Pages
189 - 206
Database
ISI
SICI code
0301-0104(1993)178:1-3<189:TRNROA>2.0.ZU;2-6
Abstract
A Raman spectrum of NH3 has been measured between 815 and 1100 cm-(1) in a cell at room temperature. The rotationally and inversionally reso lved spectrum and depolarization ratios are compared with purely ab in itio results. These are obtained from self-consistent field calculatio ns, corrected for correlation effects by the second-order Moller-Pless et method, and an ensuing solution of a 5-dimensional nuclear motion p roblem (including rotations).