Supplementary material for PB-, PS- and Dicke cofficients,

Published: 2 November 2018| Version 1 | DOI: 10.17632/d9xgsdkxjk.1
Contributors:
Hubert Jozwiak,
Franck THIBAULT,
Piotr Wcislo,
Nikodem Stolarczyk

Description

Description of the supplementary materials for Ab initio line-shape calculations for the S and O branches of H2 perturbed by He by H. Jóźwiak, F. Thibault, N. Stolarczyk, P. Wcisło 1. Cross sections (in Å2), defined by Eq. 2, as a function of the kinetic energy (in cm-1) are given in the *.dat files. The data is organised in five colums, corresponding to (in order): the kinetic energy, the real part of σ0q, the imaginary part of σ0q, the real part of σ1q and the imaginary part of σ1q. For instance the file S2ani01.dat provides the cross sections for the anisotropic Raman S(2) line of the 0-1 band, and the file O4ani03.dat provides the cross sections the anisotropic Raman O(4) line of the 0-3 band. 2. The thermally averaged pressure broadening and shifting coefficients (PBC and PSC), real and imaginary parts of the optical frequencies of velocity-changing collisions (Re(νopt) and Im(νopt)), defined by Eq. 4-7, are provided by the *.txt files. The values of the coefficients are given in 10-3 cm-1/atm. The data is organised in five columns, corresponding to (in order): temperature (in K), PBC, PSC, Re(νopt) and Im(νopt). For instance the file S5ani02.txt provides the coefficients for anisotropic S(5) line of the 0-2 band, while O2ani05.txt provides the coefficients for anisotropic O(2) line of the 0-5 band.

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Categories

Molecular Spectroscopy, Lineshape

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