Linewidths of ammonia in collisions with He: Calculations from an ab initio potential

被引：1

作者：

Dhib, Mohamed ^{[1
]}

机构：

[1] Ecole Super Sci & Tech Tunis, Dept Phys & Chim, Tunis 1008, Tunisia

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2010年 / 259卷 / 02期

关键词：

Ammonia; Line broadening; Semiclassical calculations; Potential energy surface (PES); SYMMETRIC TOP MOLECULES; LINE MIXING PARAMETERS; ROTATIONAL-EXCITATION; CROSS-SECTIONS; NU(4) BAND; INTERSTELLAR AMMONIA; FOURIER-TRANSFORM; PARALLEL BANDS; ENERGY SURFACE; RATE CONSTANTS;

D O I：

10.1016/j.jms.2009.11.008

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

We present semiclassical calculations based on the Robert-Bonamy formalism of collisional broadening coefficients of ammonia by collision with He at room temperature. Calculations have been performed with the accurate ab initio potential of Hodges and Wheatley. The calculated line widths are compared to the available experimental data and a satisfactory agreement is found, although the model contains no adjustable parameters. However the calculations also exaggerate the K dependence of the broadenings, especially for lines with K = J - 1 or K = J. (C) 2009 Elsevier Inc. All rights reserved.

引用

页码：80 / 85

页数：6

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