title: Prediction of P-branch emission spectral lines of NaF and ⁶³Cu³⁵Cl molecules.
abstract: The analytical formula derived by Sun et al. in 2011 and used to predict the rotational lines for rovibrational diatomic systems is improved in this study. The new formula is obtained by adding a higher order spectral term Hυ that is neglected in our previous expression. A physical requirement is also added to the converging process to minimize the possible error of the predicted rotational line. All these are applied to study some rovibrational transition systems of (63)Cu(35)Cl and NaF molecules. The results indicate that the accuracy of the P-branch rotational lines predicted by this new formula is about one order of magnitude better than the results obtained using the previous formula, and that both the small Hυ contribution and the improved converging requirement may play a vital role in predicting the high-lying rovibrational energies and the rotational lines. Comparisons between physical predictions and mathematical extrapolations on the rotational lines are also given.
authors: Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; College of Science, National University of Defense Technology, Changsha 410073, China.
authors: Yonghong
authors: Y
authors: Jiang
authors: Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; School of Science, Research Center for Advanced Computation, Xihua University, Chengdu 610039, China. Electronic address: swg@mail.xhu.edu.cn.
authors: Weiguo
authors: W
authors: Sun
authors: College of OptoElectronic Science and Engineering, National University of Defense Technology, Changsha 410073, China.
authors: Yi
authors: Y
authors: Zhang
authors: School of Science, Research Center for Advanced Computation, Xihua University, Chengdu 610039, China.
authors: Jia
authors: J
authors: Fu
authors: School of Science, Research Center for Advanced Computation, Xihua University, Chengdu 610039, China.
authors: Qunchao
authors: Q
authors: Fan
authors: School of Science, Research Center for Advanced Computation, Xihua University, Chengdu 610039, China.
authors: Huidong
authors: H
authors: Li
authors: School of Science, Research Center for Advanced Computation, Xihua University, Chengdu 610039, China.
authors: Hao
authors: H
authors: Feng
keywords: CuCl; Diatomic molecule; NaF; Rotational line; Rovibrational transition