Quantum mechanical calculation of the collision-induced absorption spectra of N{sub 2}–N{sub 2} with anisotropic interactions
Journal Article
·
· Journal of Chemical Physics
- Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States)
We present quantum mechanical calculations of the collision-induced absorption spectra of nitrogen molecules, using ab initio dipole moment and potential energy surfaces. Collision-induced spectra are first calculated using the isotropic interaction approximation. Then, we improve upon these results by considering the full anisotropic interaction potential. We also develop the computationally less expensive coupled-states approximation for calculating collision-induced spectra and validate this approximation by comparing the results to numerically exact close-coupling calculations for low energies. Angular localization of the scattering wave functions due to anisotropic interactions affects the line strength at low energies by two orders of magnitude. The effect of anisotropy decreases at higher energy, which validates the isotropic interaction approximation as a high-temperature approximation for calculating collision-induced spectra. Agreement with experimental data is reasonable in the isotropic interaction approximation, and improves when the full anisotropic potential is considered. Calculated absorption coefficients are tabulated for application in atmospheric modeling.
- OSTI ID:
- 22416179
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 8 Vol. 142; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
Collision-induced absorption with exchange effects and anisotropic interactions: Theory and application to H{sub 2} − H{sub 2}
Theory of collision-induced translation-rotation spectra: H/sub 2/-He
Collision-induced rototranslational spectra of H/sub 2/-He: Accounting for the anisotropic interaction
Journal Article
·
Fri Feb 27 23:00:00 EST 2015
· Journal of Chemical Physics
·
OSTI ID:22416178
Theory of collision-induced translation-rotation spectra: H/sub 2/-He
Journal Article
·
Tue Jan 31 23:00:00 EST 1984
· Phys. Rev. A; (United States)
·
OSTI ID:6587716
Collision-induced rototranslational spectra of H/sub 2/-He: Accounting for the anisotropic interaction
Journal Article
·
Tue Jul 01 00:00:00 EDT 1986
· Phys. Rev. A; (United States)
·
OSTI ID:5648131