BibTex format
@article{Tennyson:2014:10.1515/pac-2014-0208,
author = {Tennyson, J and Bernath, PF and Campargue, A and Császár, AG and Daumont, L and Gamache, RR and Hodges, JT and Lisak, D and Naumenko, OV and Rothman, LS and Tran, H and Hartmann, JM and Zobov, NF and Buldyreva, J and Boone, CD and De, Vizia MD and Gianfrani, L and McPheat, R and Weidmann, D and Murray, J and Ngo, NH and Polyansky, OL},
doi = {10.1515/pac-2014-0208},
journal = {Pure and Applied Chemistry},
pages = {1931--1943},
title = {Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC technical report)},
url = {http://dx.doi.org/10.1515/pac-2014-0208},
volume = {86},
year = {2014}
}
RIS format (EndNote, RefMan)
TY - JOUR
AB - The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrationalrotational and pure rotational transitions of the water molecule have resulted in the development of a variety of alternative line-profile models. These models capture more of the physics of the influence of pressure on line shapes but, in general, at the price of greater complexity. The Task Group recommends that the partially Correlated quadratic-Speed-Dependent Hard-Collision profile (pCqSD-HCP) should be adopted as the appropriate model for high-resolution spectroscopy. For simplicity this should be called the Hartmann-Tran profile (HTP). The HTP is sophisticated enough to capture the various collisional contributions to the isolated line shape, can be computed in a straightforward and rapid manner, and reduces to simpler profiles, including the Voigt profile, under certain simplifying assumptions.
AU - Tennyson,J
AU - Bernath,PF
AU - Campargue,A
AU - Császár,AG
AU - Daumont,L
AU - Gamache,RR
AU - Hodges,JT
AU - Lisak,D
AU - Naumenko,OV
AU - Rothman,LS
AU - Tran,H
AU - Hartmann,JM
AU - Zobov,NF
AU - Buldyreva,J
AU - Boone,CD
AU - De,Vizia MD
AU - Gianfrani,L
AU - McPheat,R
AU - Weidmann,D
AU - Murray,J
AU - Ngo,NH
AU - Polyansky,OL
DO - 10.1515/pac-2014-0208
EP - 1943
PY - 2014///
SN - 0033-4545
SP - 1931
TI - Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC technical report)
T2 - Pure and Applied Chemistry
UR - http://dx.doi.org/10.1515/pac-2014-0208
VL - 86
ER -