Analytical potential energy functions and spectroscopic properties for the ground and low-lying excited states of KRb.

@article{Chen2012AnalyticalPE,
  title={Analytical potential energy functions and spectroscopic properties for the ground and low-lying excited states of KRb.},
  author={Kun Chen and Chuanlu Yang and M. Wang and Xiaoguang Ma and Wen-Wang Liu},
  journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy},
  year={2012},
  volume={99},
  pages={
          57-61
        }
}
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. The spectroscopic parameters for the states are determined using the analytical derivatives of APEFs. The vibrational energy levels… Expand
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