物理学报2016，Vol.65Issue(7)：070202-1-070202-8,8.DOI:10.7498/aps.65.070202
差分收敛法对双原子分子高J值转动谱线的预言∗
R-branch and Q-branch high rotational sp ectral lines of diatomic molecules using improved difference converging metho d
摘要
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 Hυ. 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.关键词
双原子分子/跃迁谱线/差分法/误差分析Key words
diatomic molecule/transitional lines/difference method/error analysis引用本文复制引用
江永红,孙卫国,张燚,付佳,樊群超..差分收敛法对双原子分子高J值转动谱线的预言∗[J].物理学报,2016,65(7):070202-1-070202-8,8.基金项目
国家自然科学基金(批准号:11074204,11174236,11204244)和教育部基金(批准号:20100181110085)资助的课题 （批准号:11074204,11174236,11204244）
