Acta Chimica Sinica ›› 2002, Vol. 60 ›› Issue (8): 1405-1410. Previous Articles     Next Articles

Original Articles

CO_2振动激发态的能级指认及统计分布

周燕子;谢代前;卢语晖   

  1. 四川大学化学系,成都(610064)
  • 发布日期:2002-08-15

Assignment and Statistical Distribution of the Highly Excited Vibrational Energy Levels of CO_2

Zhou Yanzi;Xie Daiqian;Lu Yuhui   

  1. Department of Chemistry, Sichuan University,Chengdu(610064)
  • Published:2002-08-15

The highly excited vibrational energy levels of CO_2 up to 2000 cm~ (-1) have been studied in the Radau coordinates using the Lanczos algorithm and potential optimized discrete variable representation. The 500 levels below 20000 cm~(-1) are assigned with approximate normal mode quantum numbers. The Fermi resonance and anharmonicity of the high-lying vibrational levels have also been analyzed. Besides, the statistical distribution of the calculated energy levels shows that the vibrational spectra of CO_2 are largely regular in the energy range up to 20000 cm~(-1).

Key words: CARBON DIOXIDE, vibrational spectra, STATISTICAL DISTRIBUTION, EXCITED STATE

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