Electronic structure of the SrH+ and BaH+ molecules with dipole moment and rovibrational calculations

Nariman Abu el kher,Israa Zeid,Nayla El-Kork,Mahmoud Korek

Journal of Computational Science（2021）

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摘要

•For the SrH+ and BaH+ molecules, we investigated: Potential curves with the spectroscopic constants Te, Re, ωe, Be, De.•The permanent dipole moments μe.•Rovibrational parameters Ev, Bv, Dv, Rmin, Rmax.

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关键词

Electronic structure,Ab initio calculations,Rovibrational calculations

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