Calculations of Argon broadening and shift for HCO+ rotational lines at 77K

Citation
G. Buffa et al., Calculations of Argon broadening and shift for HCO+ rotational lines at 77K, J CHEM PHYS, 111(5), 1999, pp. 1870-1874
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
5
Year of publication
1999
Pages
1870 - 1874
Database
ISI
SICI code
0021-9606(19990801)111:5<1870:COABAS>2.0.ZU;2-L
Abstract
Different methods of calculations are compared to experiments at 77 K for t he broadening Gamma and shift s of some HCO+ rotational transitions by coll isions with Argon. Capture method and Anderson, Tsao, and Curnutte (ATC) me thod with straight line trajectories are both not able to reproduce the tre nd of Gamma with J. A discussion of the origin of such a discrepancy allows to obtain better insights into the different causes of collisional relaxat ion. Quite good agreement is obtained by both a hybrid method or ATC calcul ations using a more realistic translational dynamics. However, some discrep ancy still exists for high J values. (C) 1999 American Institute of Physics . [S0021-9606(99)00729-1].