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C_6H_6高频谱的代数方法计算 被引量:2

The Application of Algebraic Method to the High Overtones of C_6H_6 and C_6D_6
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摘要 利用Iachello-Oss的代数模型描述了振子数高达10的C6H6分子和C6D6分子C-H拉伸键的能谱达到了很好的精度,并在对称玻色表象里计算了分子的哈密顿量. The spectra of C6H6 and C6D6 for the C-H stretching overstones up to as high as v = 10 are described in high precision by the lachello - Oss algebraic model. The model Hanultonian is solved in the symmetrized boson representation which is particularly useful for describing vibrations of large molecules and lugh overtones.
出处 《南京师大学报(自然科学版)》 CAS CSCD 2002年第3期70-75,81,共7页 Journal of Nanjing Normal University(Natural Science Edition)
基金 江苏省自然科学基金(1999WLX0000SZ1)。
关键词 C6H6 高频谱 代数方法计算 分子代数模型 对称玻色表象 拉伸振动 振动量子数 哈密顿量 分子能谱 algebraic mode,high overstone,symmetrized boson representation,stretching vibration,vibrational quanta
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参考文献12

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同被引文献12

  • 1吴国桢.分子振动光谱学原理与研究[M].北京:清华大学出版社,2001.37.
  • 2卢礼萍,王琦.点群T_d不可约表示的代数形式[J].曲阜师范大学学报(自然科学版),2007,33(3):69-72. 被引量:1
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  • 7曾谨言.量子力学[M].北京:科学出版社,2001..
  • 8Mitas L,Therrien J,Twesten R,et al.Effect of surface reconstruction on the structural prototypes of ultrasmall ultrabright Si29 nanoparticles[J].Appl Phys Lett,2001,78:1918-1920.
  • 9Chen J Q.Group Representation Theory of Physicists[M].Singapore:World Scientific,1989.318-375.
  • 10Iachello F,Levine R D.Algebraic theory of molecules[M].London:Oxford Press,1995.

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