Author(s)

Diana Kaeen¹, Mahmoud Korek^1*, Saleh Nabhan Abdulal²

¹Physics Department, Faculty of Science, Beirut Arab University, Beirut, Lebanon.
²Physics Department, Lebanese International University, Beirut, Lebanon.

Adiabatic potential energy curves of 12 doublet and quartet lowest spinless electronic states of the molecule CsO have been investigated via ab initio CASSCF and MRCI (doublet and quartet excitations with Davidson correction) calculations. The spectroscopic constants such as vibrational harmonic frequency ω_e, the internuclear distance at equilibrium R_e, the rotational constant B_e, and the electronic transition energy T_e of the ground and the excited electronic states have been calculated by fitting the energy values around the equilibrium position to a polynomial in terms of the internuclear distance. The comparison of these values to those available in the literature shows a good agreement.

ab Initio Calculation, CsO Molecule, Potential Energy Curves, Spectroscopic Constants

Kaeen, D. , Korek, M. and Abdulal, S. (2015) Electronic Structure of the Cesium Oxide Molecule CsO. Journal of Modern Physics, 6, 1889-1894. doi: 10.4236/jmp.2015.613194.