中国物理B ›› 2000, Vol. 9 ›› Issue (2): 108-112.doi: 10.1088/1009-1963/9/2/006

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NONLINEARLY VIBRATIONAL ENERGY-SPECTRA OF MOLECULAR CRYSTALS

陈向荣1, 庞小峰2   

  1. (1)Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; (2)Institute of High-Energy Electronics, University of Electronic Science and Technology of China, Chengdu 610054, and International Centre for Material Physics, Chinese Academy of Sciences, Shenyang 110015, China; Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
  • 收稿日期:1999-07-04 修回日期:1999-08-09 出版日期:2000-02-15 发布日期:2005-06-10
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 29673028).

NONLINEARLY VIBRATIONAL ENERGY-SPECTRA OF MOLECULAR CRYSTALS

Pang Xiao-feng (庞小峰)ab, Chen Xiang-rong (陈向荣)b   

  1. a Institute of High-Energy Electronics, University of Electronic Science and Technology of China, Chengdu 610054, and International Centre for Material Physics, Chinese Academy of Sciences, Shenyang 110015, China; b Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
  • Received:1999-07-04 Revised:1999-08-09 Online:2000-02-15 Published:2005-06-10
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 29673028).

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摘要： The nonlinear quantum vibrational energy spectra of amide-I in the molecular crystals acetanilide are calculated by using the discrete nonlinear Schr?dinger equation appropriate to this kind of crystals.The numerical results obtained by this method are in good agreement with the experimental values. Meanwhile, the energy levels at high excited states have also been obtained for the acetanilide, which is helpful in researching the Raman scattering and infrared absorption properties of the this kind of crystals.

Abstract: The nonlinear quantum vibrational energy spectra of amide-I in the molecular crystals acetanilide are calculated by using the discrete nonlinear Schr$\ddot{\rm o}$dinger equation appropriate to this kind of crystals.The numerical results obtained by this method are in good agreement with the experimental values. Meanwhile, the energy levels at high excited states have also been obtained for the acetanilide, which is helpful in researching the Raman scattering and infrared absorption properties of the this kind of crystals.

中图分类号:  (Infrared spectra)

  • 33.20.Ea
33.20.Fb (Raman and Rayleigh spectra (including optical scattering) ?) 33.20.Tp (Vibrational analysis) 61.66.Fn (Inorganic compounds) 78.30.Hv (Other nonmetallic inorganics)