Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5416187 | Journal of Molecular Spectroscopy | 2006 | 5 Pages |
Abstract
This paper provides insights for the accurate calculation of theoretical intensities of single transitions in a parahydrogen crystal containing trace amounts of orthohydrogen impurity. From the ratio of the experimental intensity to that of theoretical one (αËexp/αËth) we can deduce the value of the phonon renormalization factors, which are not easily amenable for calculations, a priori and are customarily set equal to unity. The ratio αËexp/αËth for S transitions varies over a wide range from 0.15 to 0.94. Different reasons are advanced for this wide variation and remedy suggested. A more careful experimental measurement of the intensity of single transitions in a parahydrogen crystal at different, carefully controlled, orthohydrogen concentrations is desirable. The accurate knowledge of the ratio αËexp/αËth will then lead to a detailed understanding of the theory of phonon renormalization factors in quantum solids.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Adya P. Mishra, Richard D'Souza, T.K. Balasubramanian,