Abstract
atmospheres and combustion environments is rigorously handled for the case of two linear colliders
in terms of incomplete (non-Markovian) collisions related to off-energy-shell scattering amplitudes.
Contrary to the standard impact-approximation approaches valid solely in band-centre regions, a
new uniform broadband spectrum description is developed on the basis of a frequency-dependent
rotational relaxation matrix which accurately accounts for the influence of the extra photon energy
with respect to the molecular transitions. This matrix is built using a symmetric Liouville-space
metric and obeys all known fundamental rules. Its direct calculation from refined potential-energy
surfaces and promising modeling methods for forthcoming practical computations are outlined. A
simple preliminary test for N2–N2 isotropic Raman line widths argues in favor of considerable effects
of the internal perturber’s structure on modeled spectral characteristics.
| Original language | English |
|---|---|
| Article number | 044305 |
| Pages (from-to) | 044305:1-5 |
| Number of pages | 5 |
| Journal | Journal of Chemical Physics |
| Volume | 149 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 28 Jul 2018 |
Scopus subject areas
- Physics and Astronomy(all)
Cite this
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Non-Markovian rotational relaxation matrix for fast collisions between two linear molecules in high-pressure gaseous media. I. General formalism and preliminary testing. / Kouzov, A.P.; Buldyreva, Jeanna V.; Sokolov, A.V.
In: Journal of Chemical Physics, Vol. 149, No. 4, 044305, 28.07.2018, p. 044305:1-5.Research output
TY - JOUR
T1 - Non-Markovian rotational relaxation matrix for fast collisions between two linear molecules in high-pressure gaseous media. I. General formalism and preliminary testing
AU - Kouzov, A.P.
AU - Buldyreva, Jeanna V.
AU - Sokolov, A.V.
PY - 2018/7/28
Y1 - 2018/7/28
N2 - Collisional mixing of (vib)rotational lines appearing in spectroscopic signatures of dense planetaryatmospheres and combustion environments is rigorously handled for the case of two linear collidersin terms of incomplete (non-Markovian) collisions related to off-energy-shell scattering amplitudes.Contrary to the standard impact-approximation approaches valid solely in band-centre regions, anew uniform broadband spectrum description is developed on the basis of a frequency-dependentrotational relaxation matrix which accurately accounts for the influence of the extra photon energywith respect to the molecular transitions. This matrix is built using a symmetric Liouville-spacemetric and obeys all known fundamental rules. Its direct calculation from refined potential-energysurfaces and promising modeling methods for forthcoming practical computations are outlined. Asimple preliminary test for N2–N2 isotropic Raman line widths argues in favor of considerable effectsof the internal perturber’s structure on modeled spectral characteristics.
AB - Collisional mixing of (vib)rotational lines appearing in spectroscopic signatures of dense planetaryatmospheres and combustion environments is rigorously handled for the case of two linear collidersin terms of incomplete (non-Markovian) collisions related to off-energy-shell scattering amplitudes.Contrary to the standard impact-approximation approaches valid solely in band-centre regions, anew uniform broadband spectrum description is developed on the basis of a frequency-dependentrotational relaxation matrix which accurately accounts for the influence of the extra photon energywith respect to the molecular transitions. This matrix is built using a symmetric Liouville-spacemetric and obeys all known fundamental rules. Its direct calculation from refined potential-energysurfaces and promising modeling methods for forthcoming practical computations are outlined. Asimple preliminary test for N2–N2 isotropic Raman line widths argues in favor of considerable effectsof the internal perturber’s structure on modeled spectral characteristics.
KW - столкновительная вращательная релаксация
UR - http://www.scopus.com/inward/record.url?scp=85050819963&partnerID=8YFLogxK
U2 - 10.1063/1.5030977
DO - 10.1063/1.5030977
M3 - Article
VL - 149
SP - 044305:1-5
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 4
M1 - 044305
ER -