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The potential energy curves (PECs) of the ground state of GaX (X=F,Cl, and Br) molecules have been calculated using the multi-reference configuration interaction method with a large contracted basis set aug-cc-pV5Z. The ro-vibrational energy levels and spectroscopic parameters are determined and compared with the theoretical and experimental data available at present in the literature. The PECs are...
The potential energy curves (PECs) of the ground state X 1 Σ + and two low-lying excited states 1 3 Σ + and 1 3 П of KRb molecule have been calculated using the multireference configuration interaction method and the effective core potential basis set. The PECs are fitted into analytical potential energy functions (APEFs) using the Morse long-range potential...
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