Chemical Physics Letters, Vol.436, No.1-3, 268-275, 2007
Theoretical study of the rotational structure of the gamma(0,0) band of NO. Molecular quantum defect orbital (MQDO) calculations of Einstein absorption coefficients and line-integrated rotational cross sections
In the present work, a fairly large number of rotational transition probabilities, in the form of both Einstein absorption coefficients and line-integrated photoabsorption cross sections, have been theoretically determined for the rovibrational structure of the gamma(0, 0) band of NO, within the A(2)Sigma <- X-2 Pi electronic transition. A temperature of 295 K has been considered. The calculations have been performed with the molecular quantum defect orbital (MQDO) methodology, which has recently proved to be a very adequate tool for this type of studies, by yielding quantitative values for the delta(0, 0) band of the same molecule. (c) 2007 Elsevier B.V. All rights reserved.