Calculating pure rotational transitions of water molecule with a simple Lanczos method

Authors
Sarkar, P
Citation
P. Sarkar, Calculating pure rotational transitions of water molecule with a simple Lanczos method, PRAMANA-J P, 56(4), 2001, pp. 537-543
Citations number
14
Categorie Soggetti
Physics
Journal title
PRAMANA-JOURNAL OF PHYSICS
ISSN journal
03044289 → ACNP
Volume
56
Issue
4
Year of publication
2001
Pages
537 - 543
Database
ISI
SICI code
0304-4289(200104)56:4<537:CPRTOW>2.0.ZU;2-K
Abstract
We have calculated pure rotational transitions of water molecule from a kin etic energy operator (KEO) with the z-axis perpendicular to the molecular p lane. We have used rotational basis functions which are linens combinations of symmetric top functions so that all matrix elements are real. The calcu lated spectra agree well with the observed values.