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Theoretical study of the potential energy surface and the highly excited rovibrational spectroscopy of H2S molecule

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Abstract

This note reports the potential energy surface of H2S that has been refined by using SCF-CI approach and the high-resolution experimental data. The calculated splitting values of the local mode vibration states pair close to observed values. This vibration state calculation has shown that there are no obvious non-Born Oppenheimer effects occurring in the lower vibration states of the system.

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Xie, J., Yan, G. Theoretical study of the potential energy surface and the highly excited rovibrational spectroscopy of H2S molecule. Chin. Sci. Bull. 46, 650–652 (2001). https://doi.org/10.1007/BF03182826

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Keywords

  • potential energy surface
  • local mode vibration state
  • non-Born Oppenheimer effect