Ab initio transition dipole moments and potential energy curves for the low-lying electronic states of CaH

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• 作者：Alireza Shayesteh ; ^{ashayesteh@ut.ac.ir} ; S. Fatemeh Alavi ; Moloud Rahman¹ ; Ehsan Gharib-Nezhad²
• 刊名：Chemical Physics Letters
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：667
• 期：Complete
• 页码：345-350
• 全文大小：1231 K
• 卷排序：667

文摘

CaH is an important molecule in astrophysics. We studied the low-lying electronic states of CaH at the MRCI level of theory. Accurate transition dipole moments and lifetimes were computed for several excited states. Perturbations in the A2Π and B2Σ+ states have been discussed.