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Chinese Science Bulletin

, Volume 46, Issue 8, pp 650–652 | Cite as

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

  • Junkai Xie
  • Guosen Yan
Notes
  • 26 Downloads

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.

Keywords

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

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Copyright information

© Science in China Press 2001

Authors and Affiliations

  • Junkai Xie
    • 1
  • Guosen Yan
    • 2
  1. 1.Department of ChemistrySichuan Normal UniversityChengduChina
  2. 2.Department of ChemistrySichuan UniversityChengduChina

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