Computer Science – Numerical Analysis
Scientific paper
Aug 1987
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1987jqsrt..38...89b&link_type=abstract
Journal of Quantitative Spectroscopy and Radiative Transfer (ISSN 0022-4073), vol. 38, Aug. 1987, p. 89-112.
Computer Science
Numerical Analysis
10
Diatomic Molecules, Dipole Moments, Electron Transitions, Infrared Spectra, Matrices (Mathematics), Potential Energy, High Resolution, Hydrochloric Acid, Numerical Analysis
Scientific paper
Theoretical expressions for the vibration-rotational-matrix elements corresponding to IR transitions vJ - (v-prime)(J-prime) with Delta-v = 4, 5, 6, 7 are given in terms of polynomials in m and m squared,including contributions from sixth-order Dunham potential-energy parameters and from dipole-moment expansion coefficients M0 to M7. The formalism has been applied to vibrational transitions of HCL. Using two dipole-moment functions, Herman-Wallis coefficients have been derived for the bands 0-0 to 0-7 of HCl and are compared with experimental data.
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