Standard

Quasi-molecular radiative transitions produced by thermal and low-temperature collisions : Ar(3p61S0-3p54s3P 2)-He. / Devdariani, A.; Chesnokov, E.; Zagrebin, A.; Lednev, M. G.; Petsalakis, I. D.; Theodorakopoulos, G.; Liebermann, H. P.; Buenker, R. J.

In: Chemical Physics, Vol. 330, No. 1-2, 08.11.2006, p. 101-112.

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

Harvard

Devdariani, A, Chesnokov, E, Zagrebin, A, Lednev, MG, Petsalakis, ID, Theodorakopoulos, G, Liebermann, HP & Buenker, RJ 2006, 'Quasi-molecular radiative transitions produced by thermal and low-temperature collisions: Ar(3p61S0-3p54s3P 2)-He', Chemical Physics, vol. 330, no. 1-2, pp. 101-112. https://doi.org/10.1016/j.chemphys.2006.08.007

APA

Devdariani, A., Chesnokov, E., Zagrebin, A., Lednev, M. G., Petsalakis, I. D., Theodorakopoulos, G., Liebermann, H. P., & Buenker, R. J. (2006). Quasi-molecular radiative transitions produced by thermal and low-temperature collisions: Ar(3p61S0-3p54s3P 2)-He. Chemical Physics, 330(1-2), 101-112. https://doi.org/10.1016/j.chemphys.2006.08.007

Vancouver

Devdariani A, Chesnokov E, Zagrebin A, Lednev MG, Petsalakis ID, Theodorakopoulos G et al. Quasi-molecular radiative transitions produced by thermal and low-temperature collisions: Ar(3p61S0-3p54s3P 2)-He. Chemical Physics. 2006 Nov 8;330(1-2):101-112. https://doi.org/10.1016/j.chemphys.2006.08.007

Author

Devdariani, A. ; Chesnokov, E. ; Zagrebin, A. ; Lednev, M. G. ; Petsalakis, I. D. ; Theodorakopoulos, G. ; Liebermann, H. P. ; Buenker, R. J. / Quasi-molecular radiative transitions produced by thermal and low-temperature collisions : Ar(3p61S0-3p54s3P 2)-He. In: Chemical Physics. 2006 ; Vol. 330, No. 1-2. pp. 101-112.

BibTeX

@article{3db536cd24fb4f41bbeb3b8824dc0b3f,
title = "Quasi-molecular radiative transitions produced by thermal and low-temperature collisions: Ar(3p61S0-3p54s3P 2)-He",
abstract = "The asymptotically forbidden transitions Ar(3p61S0 ↔ 3p54s3P2) in the atmosphere of He gas atoms have been taken as a typical example to study the effect of input quantum chemical data variations on radiative characteristics of rare gas quasi-molecules. To this end the spectral profiles and total emission cross sections with and without averaging over Maxwell's distribution have been calculated in a quasi-classical approach for different sets of the input quantum chemical data obtained in semi-empirical and RECP-MRDCI approaches. It has been demonstrated that the effect of the variations of quantum chemical data depends on which radiative characteristic is under consideration and on the region of interatomic distances. Thus, conclusions regarding the quality of the quantum chemical input data, based on comparisons with experimental results or the deduction of potential energy curves and/or radiative widths from experiments or fitting procedures, must be preceded by the study of the interatomic distance regions that are most important for a specific experiment.",
keywords = "Ar-He molecule, Collisional transitions, Spectral profiles",
author = "A. Devdariani and E. Chesnokov and A. Zagrebin and Lednev, {M. G.} and Petsalakis, {I. D.} and G. Theodorakopoulos and Liebermann, {H. P.} and Buenker, {R. J.}",
year = "2006",
month = nov,
day = "8",
doi = "10.1016/j.chemphys.2006.08.007",
language = "English",
volume = "330",
pages = "101--112",
journal = "Chemical Physics",
issn = "0301-0104",
publisher = "Elsevier",
number = "1-2",

}

RIS

TY - JOUR

T1 - Quasi-molecular radiative transitions produced by thermal and low-temperature collisions

T2 - Ar(3p61S0-3p54s3P 2)-He

AU - Devdariani, A.

AU - Chesnokov, E.

AU - Zagrebin, A.

AU - Lednev, M. G.

AU - Petsalakis, I. D.

AU - Theodorakopoulos, G.

AU - Liebermann, H. P.

AU - Buenker, R. J.

PY - 2006/11/8

Y1 - 2006/11/8

N2 - The asymptotically forbidden transitions Ar(3p61S0 ↔ 3p54s3P2) in the atmosphere of He gas atoms have been taken as a typical example to study the effect of input quantum chemical data variations on radiative characteristics of rare gas quasi-molecules. To this end the spectral profiles and total emission cross sections with and without averaging over Maxwell's distribution have been calculated in a quasi-classical approach for different sets of the input quantum chemical data obtained in semi-empirical and RECP-MRDCI approaches. It has been demonstrated that the effect of the variations of quantum chemical data depends on which radiative characteristic is under consideration and on the region of interatomic distances. Thus, conclusions regarding the quality of the quantum chemical input data, based on comparisons with experimental results or the deduction of potential energy curves and/or radiative widths from experiments or fitting procedures, must be preceded by the study of the interatomic distance regions that are most important for a specific experiment.

AB - The asymptotically forbidden transitions Ar(3p61S0 ↔ 3p54s3P2) in the atmosphere of He gas atoms have been taken as a typical example to study the effect of input quantum chemical data variations on radiative characteristics of rare gas quasi-molecules. To this end the spectral profiles and total emission cross sections with and without averaging over Maxwell's distribution have been calculated in a quasi-classical approach for different sets of the input quantum chemical data obtained in semi-empirical and RECP-MRDCI approaches. It has been demonstrated that the effect of the variations of quantum chemical data depends on which radiative characteristic is under consideration and on the region of interatomic distances. Thus, conclusions regarding the quality of the quantum chemical input data, based on comparisons with experimental results or the deduction of potential energy curves and/or radiative widths from experiments or fitting procedures, must be preceded by the study of the interatomic distance regions that are most important for a specific experiment.

KW - Ar-He molecule

KW - Collisional transitions

KW - Spectral profiles

UR - http://www.scopus.com/inward/record.url?scp=33751064605&partnerID=8YFLogxK

U2 - 10.1016/j.chemphys.2006.08.007

DO - 10.1016/j.chemphys.2006.08.007

M3 - Article

AN - SCOPUS:33751064605

VL - 330

SP - 101

EP - 112

JO - Chemical Physics

JF - Chemical Physics

SN - 0301-0104

IS - 1-2

ER -

ID: 28408115