Theoretical calculation of CH3F/N2-broadening coefficients and their temperature dependence

The influence of line mixing on the j and k dependencies of halfwidths and temperature exponents in N2-broadening coefficients of CH3F spectral lines

“…In our calculations the energy levels are calculated from a formula provided in Ref. [ 25 ] with the spectroscopic constants used by Jellali et al [14] . With this formula and these spectroscopic constants, two components have the same energy value.…”

“…Before ending the discussions, we would like to make a few comments on the theoretical work by Jellali et al [14] . In the present study, we adopt the potential and molecular parameters provided by them.…”

“…( 6) of Ref. [14] ). Since CH 3 F and N 2 have large dipole and quadrupole moments respectively, one can expect that considering this long-range potential is sufficient in calculating the halfwidths and the W matrix.…”

“…As usual, we assume that the isotropic part of the potential drives the translational trajectories. In the present work, we follow Jellali's choice to use the Lennard-Jones (LJ) model with ε = 134.91 K and σ = 3.6215 Å (These LJ parameters are derived with the combination rule based on the data provided by Jellali et al [14] ). All the molecular parameters used in our calculations, as well as the spectroscopic constants, are exactly the same as those used by Jellali et al [14] .…”

“…More recently, Jellali et at. [14] improved the method by using "exact" trajectories. However, as is now well known, thanks to the work of Cherkasov [15] , the isolated line approximation is invalid because the operator S 2 is not diagonal in the linespace.…”