Three-body induced dipole moments and infrared absorption: The H[sub 2] fundamental band
- Dipartimento di Fisica, Universita di Firenze, Largo E. Fermi 2, I-50125 Firenze (Italy)
- Physics Department, University of Texas at Austin, Texas 78712-1081 (United States)
In a previous paper [Phys. Rev. A 40, 6260 (1989)] the ternary absorption coefficient of hydrogen in the fundamental band was calculated with the assumption of pairwise dipole components. The comparison with measurements of the absorption showed striking disagreement, particularly at the higher temperatures, presumably due to the neglect of the irreducible ternary dipole components. We extend here the calculations by including the most important irreducible ternary dipole components. The overlap-induced part of the ternary dipole components is obtained from the one-effective electron model which is written in a form suitable to account for vibrational transitions. Two different models are compared here: one suggested by Guillot [ital et] [ital al]., J. Chem. Phys. 90, 650 (1989), and a new one. The comparison of the calculated total absorption (a sum formula) with the existing measurements shows that in hydrogen the exchange quadrupole-induced ternary dipole components are capable of producing the strong observed temperature dependence. Furthermore, it is the only mechanism presently known which may permit the reproduction of the measured data from theory; some of the approximations developed here give reasonable quantitative agreement with the measurement.
- OSTI ID:
- 7238696
- Journal Information:
- Physical Review A; (United States), Vol. 49:6; ISSN 1050-2947
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
HYDROGEN
DIPOLE MOMENTS
INFRARED SPECTRA
ABSORPTION SPECTRA
INTERMOLECULAR FORCES
IRREDUCIBLE REPRESENTATIONS
POLARIZATION
THREE-BODY PROBLEM
ELEMENTS
MANY-BODY PROBLEM
NONMETALS
SPECTRA
664100* - Theory of Electronic Structure of Atoms & Molecules- (1992-)
664200 - Spectra of Atoms & Molecules & their Interactions with Photons- (1992-)