Ab initio simulation of collision-induced intensity in the N_2 fundamental

摘要

Recent accurate observations of collision-induced absorption (CIA) in the nitrogen and oxygen fundamentals pointed at the existence of the minimum in its integrated intensity temperature variation. This work aims at simulation of the CIA intensity in N_2 using quantum chemical complete potential energy and dipole surfaces for N_2-N_2 system.rnThe absolute magnitude of CIA intensity was found to be fairly sensitive to the level of ab initio calculations, in particular to the quality of the basis set. The presence of the minimum on the integrated CIA temperature dependence was shown irrespective to the basis set, though its position is subject to notable variations.rnThe capability of ab initio methods to correctly predict the CIA intensity in weakly interacting systems is clearly demonstrated.