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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.

Research output: Contribution to journal › Article › peer-review

Harvard

Kouzov, AP, Buldyreva, JV & Sokolov, AV 2018, 'Non-Markovian rotational relaxation matrix for fast collisions between two linear molecules in high-pressure gaseous media. I. General formalism and preliminary testing', Journal of Chemical Physics, vol. 149, no. 4, 044305. https://doi.org/10.1063/1.5030977

APA

Kouzov, A. P., Buldyreva, J. V., & Sokolov, A. V. (2018). Non-Markovian rotational relaxation matrix for fast collisions between two linear molecules in high-pressure gaseous media. I. General formalism and preliminary testing. Journal of Chemical Physics, 149(4), [044305]. https://doi.org/10.1063/1.5030977

Vancouver

Kouzov AP, Buldyreva JV, Sokolov AV. Non-Markovian rotational relaxation matrix for fast collisions between two linear molecules in high-pressure gaseous media. I. General formalism and preliminary testing. Journal of Chemical Physics. 2018 Jul 28;149(4). 044305. https://doi.org/10.1063/1.5030977

Author

Kouzov, A.P. ; Buldyreva, Jeanna V. ; Sokolov, A.V. / Non-Markovian rotational relaxation matrix for fast collisions between two linear molecules in high-pressure gaseous media. I. General formalism and preliminary testing. In: Journal of Chemical Physics. 2018 ; Vol. 149, No. 4.

BibTeX

@article{573a8925256343b69cc9f5a20722f83f,
title = "Non-Markovian rotational relaxation matrix for fast collisions between two linear molecules in high-pressure gaseous media. I. General formalism and preliminary testing",
abstract = "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{\textquoteright}s structure on modeled spectral characteristics.",
keywords = "столкновительная вращательная релаксация",
author = "A.P. Kouzov and Buldyreva, {Jeanna V.} and A.V. Sokolov",
year = "2018",
month = jul,
day = "28",
doi = "10.1063/1.5030977",
language = "English",
volume = "149",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",
number = "4",

}

RIS

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

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 4

M1 - 044305

ER -

ID: 34653387