Extension of the quasistatic far-wing line shape theory to multicomponent anisotropic potentials

Journal Article · Wed Jun 15 04:00:00 EDT 1994 · Journal of Chemical Physics; (United States)

DOI:https://doi.org/10.1063/1.466727· OSTI ID:7307602

Ma, Q ^[1]; Tipping, R H ^[2]

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1. Department of Applied Physics, Columbia University and Institute for Space Studies, Goddard Space Flight Center, New York, New York 10025 (United States)
2. Department of Physics and Astronomy, University of Alabama, Tuscaloosa, Alabama 35487 (United States)

The formalism developed previously for the calculation of the far-wing line shape function and the corresponding absorption coefficient using a single-component anisotropic interaction term and the binary collision and quasistatic approximations is generalized to multicomponent anisotropic potential functions. Explicit expressions are presented for several common cases, including the long-range dipole--dipole plus dipole--quadrupole interaction and a linear molecule interacting with a perturber atom. After determining the multicomponent functional representation for the interaction between CO[sub 2] and Ar from previous published data, we calculate the theoretical line shape function and the corresponding absorption due to the [nu][sub 3] band of CO[sub 2] in the frequency region 2400--2580 cm[sup [minus]1] and compare our results with previous calculations carried out using a single-component anisotropic interaction, and with the results obtained assuming Lorentzian line shapes. The principal uncertainties in the present results, possible refinements of the theoretical formalism, and the applicability to other systems are discussed briefly.

• OSTI ID: 7307602
• Journal Information: Journal of Chemical Physics; (United States), Journal Name: Journal of Chemical Physics; (United States) Vol. 100:12; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

664100* -- Theory of Electronic Structure of Atoms & Molecules-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ABSORPTION SPECTRA
ARGON
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
DIPOLES
ELEMENTS
ENERGY LEVELS
EQUATIONS
EXCITED STATES
FLUIDS
GASES
LINE WIDTHS
MULTIPOLES
NONMETALS
OXIDES
OXYGEN COMPOUNDS
POTENTIALS
QUADRUPOLES
RARE GASES
ROTATIONAL STATES
SPECTRA
VIBRATIONAL STATES