OSCILLATOR-STRENGTHS FOR IR ROVIBRATIONAL TRANSITIONS OF CO

被引:20
|
作者
HURE, JM [1 ]
ROUEFF, E [1 ]
机构
[1] OBSERV MEUDON,CNRS,URA 173,F-92195 MEUDON,FRANCE
关键词
D O I
10.1006/jmsp.1993.1180
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 have solved the nuclear Schrödinger radial equation to derive wavefunctions and rovibrational energy levels of the carbon monoxide molecule 12C16O in its ground electronic state X1Σ+ at a spectroscopic accuracy. We then calculated the dipole matrix elements for transitions involving vibrational quantum numbers up to v = 15 and rotational quantum numbers up to J = 200. Calculations were carried out for the fundamental (Δv = 1) and the three first overtone (Δv = 2, 3, 4) bands. For the transition matrix elements there is typically a 10% difference from previous results due to recent values of the dipole moment function. This gives a significant 20% difference for the absorption oscillator strengths which are computed for this set of 21 600 lines. © 1993 Academic Press, Inc.
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页码:335 / 344
页数:10
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