中国物理B ›› 1998, Vol. 7 ›› Issue (5): 327-332.doi: 10.1088/1004-423X/7/5/002

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CALCULATIONS OF STRETCHING VIBRATIONAL OVERTONES AND COMBINATIONS OF ARSINE BY NONLINEAR MODEL

陈向荣, 芶清泉, 庞小峰   

  1. Institute of Atomic and Molecular Science at High Temperature and High Pressure, Sichuan Union University(West Area), Chengdu 610065, China
  • 收稿日期:1997-06-27 出版日期:1998-05-20 发布日期:1998-05-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China.

CALCULATIONS OF STRETCHING VIBRATIONAL OVERTONES AND COMBINATIONS OF ARSINE BY NONLINEAR MODEL

CHEN XIANG-RONG (陈向荣), GOU QING-QUAN (芶清泉), PANG XIAO-FENG (庞小峰)   

  1. Institute of Atomic and Molecular Science at High Temperature and High Pressure, Sichuan Union University(West Area), Chengdu 610065, China
  • Received:1997-06-27 Online:1998-05-20 Published:1998-05-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China.

摘要: A three-parameter nonlinear model in nonlinear quantum theory,i.e.,the quantized discrete self trapping equation, has been used to calculate the vibrational energy spectrum, including the overtones and combinations with many excited quanta, of AsH stretches of arsine, AsH3. The model calculations agree well with experiment and other calculations. It is shown that the dominant feature of the energy spectrum of AsH3 molecule is a pattern of local mode pairs, and that when n≥4, all the vibrational energies are almost localized on a single AsH bond.

Abstract: A three-parameter nonlinear model in nonlinear quantum theory, i.e., the quantized discrete self trapping equation, has been used to calculate the vibrational energy spectrum, including the overtones and combinations with many excited quanta, of AsH stretches of arsine, AsH3. The model calculations agree well with experiment and other calculations. It is shown that the dominant feature of the energy spectrum of AsH3 molecule is a pattern of local mode pairs, and that when n≥4, all the vibrational energies are almost localized on a single AsH bond.

中图分类号:  (Vibrational analysis)

  • 33.20.Tp
31.15.-p (Calculations and mathematical techniques in atomic and molecular physics)