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

被引：0

作者：

Lokshtanova, Sergei E. ^{[1
]}

Vigasin, Andrei A. ^{[1
]}

Bussery-Honvault, Beatrice ^{[2
]}

机构：

[1] Russian Acad Sci, Inst Gen Phys, Wave Res Ctr, Vavilova 38, Moscow 119991, Russia

[2] Univ Franche Comte, Lab Phys Mol, F-25030 Besancon, France

来源：

15TH SYMPOSIUM ON HIGH-RESOLUTION MOLECULAR SPECTROSCOPY | 2006年 / 6580卷

关键词：

collision-induced spectra; ab initio induced dipole surface; nitrogen absorption; temperature effect in collision-induced absorption;

D O I：

10.1117/12.724899

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Recent accurate observations [I] 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. 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

引用

页数：5

共 50 条

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