物理化学学报 >> 1995, Vol. 11 >> Issue (12): 1062-1070.doi: 10.3866/PKU.WHXB19951202

研究论文 上一篇    下一篇

苯的振动量子能级的非线性量子理论计算

庞小峰   

  1. 中国科学院国际材料物理中心,沈阳 110015;西南民族学院物理系,成都 610041
  • 收稿日期:1995-10-13 修回日期:1995-01-23 发布日期:1995-12-15
  • 通讯作者: 庞小峰

Calculation of the Vibrational Quantum Energy Levels of Benzene Molecules by Nonlinear Quantum Theory

Pang Xiao-Feng   

  1. Institute of Centre for Material Physics,Academia Sinica,Shenyang 110015;Southwest Institute of Nationalities,Chengdu 610041
  • Received:1995-10-13 Revised:1995-01-23 Published:1995-12-15
  • Contact: Pang Xiao-Feng

摘要:

用最近发展起来的非线性量子力学的定态本征方程的理论去计算蒸气和液体的苯(C6H6)和重苯(C6D6)的CH和CD键的振动所产生的量子能态. 同时用非线性简并微扰理论计算了在弱色散极限下苯的稳定态的能态劈裂,得到较为满意的结果.

关键词: 非线性量子力学的定态方程, 量子化, 振动, 苯, 量子能态

Abstract:

In this paper, the quantum energy levels and the level splitting of the first and the second excited states generated by the stretching vibration of CH and CD bonds in normal benzene C6H6 (vapour and liquid) and deuterated benzene C6D6 (vapour and liquid) have been studied in detail by new non-linear quantum mechanical theory in weak disperse limit. The distribution of energy levels of benzene molecules has been also obtained, and is consistent with experimental data.

Key words: Non liner quantum mechanical equation, Quantization, Vibration, Benzene, Quantum energy levels