In this work we discuss and compare the properties of empirical rotational relaxation matrices, which are responsible for the line-mixing effects in IR absorption in the gas phase. The energy-corrected sudden approximation, the strong collision model, the adjusted branch coupling (ABC) model, and the varied collision efficiency (VCE) model are considered. The ABC and VCE models are applied to the band shape calculations for CO2 and CF4 spectra in rare gas mixtures. The VCE model proved to be better for this purpose.
Molecular Physics is a well-established international journal containing original research papers on chemical physics. The journal considers all aspects of the physics and biophysics of molecules, particularly the structure and dynamics of individual molecules and molecular assemblies. The journal also publishes papers on fundamental reaction kinetics and the structure and reactivity of molecules adsorbed on surfaces and at interfaces. Contributions are full papers, preliminary communications, research notes or review articles.
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