Ab initio simulation of collision-induced intensity in the N2 fundamental

Авторы: Lokshtanov Sergei E., Vigasin Andrei A., Bussery-Honvault Beatrice
Сборник: Proc. SPIE
Том: 6580
Год издания: 2006
Первая страница: 65800D.1
Последняя страница: 65800D.5
DOI: 10.1117/12.724899
Аннотация: Recent accurate observations [1] 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 N2 using quantum chemical complete potential energy and dipole surfaces for N2-N2 system. The 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. The capability of ab initio methods to correctly predict the CIA intensity in weakly interacting systems is clearly demonstrated.
Добавил в систему: Локштанов Сергей Евгеньевич

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