In:
Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 65, No. 7 ( 2016), p. 070202-
Abstract:
The accuracies of the predicted R-branch and Q-branch transitional lines of rovibrational diatomic systems for rotational states of J 100 are improved by using new analytical formulae and an improved difference converging method (DCM) in this study. The new formulae include the contributions from a higher-order energy term Hv. The improved DCM method includes a new physical converging criterion that is particularly useful in predicting unknown transitional lines. These improvements are used to study the transitional lines of the R-branch of the TiF and CO molecules and the Q-branch of the TiF molecule. The results show that the accuracies of the R-branch and Q-branch rotational lines are about one order of magnitude better than the results obtained using previous formulae; the new physical converging criterion can efficiently reduce the possible errors in the spectrum computations; the theoretical rotational lines obtained using the improved DCM method are much better than those obtained using the least-squares method.
Type of Medium:
Online Resource
ISSN:
1000-3290
,
1000-3290
DOI:
10.7498/aps.65.070202
Language:
Unknown
Publisher:
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Publication Date:
2016