物理化学学报 >> 1986, Vol. 2 >> Issue (06): 505-511.doi: 10.3866/PKU.WHXB19860605

研究论文 上一篇    下一篇

关于运动学上确定分子振动力常数方法的研究

鄢国森; 孙泽民; 肖慎修; 周学锋; 薛英   

  1. 四川大学化学系, 成都
  • 收稿日期:1985-07-11 修回日期:1986-01-13 发布日期:1986-12-15

THE METHOD OF KINEMATICALLY DEFINED FORCE CONSTANTS IN MOLECULAR VIBRATION

Yan Guosen; Sun Zemin; Xiao Shenxiu; Zhou Xuefeng; Xue Ying   

  1. Chemistry Department of Sichuan University; Chengdu
  • Received:1985-07-11 Revised:1986-01-13 Published:1986-12-15

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摘要： 本文以G矩阵的因解和振动频率确定力常数为出发点, 对A矩阵中矩阵元λ_i的排列规律作了进一步研究, 讨论了Freeman给出的λ_i排列关系的适用范围, 计算结果说明此种排列关系具有较大的局限性, 不能应用于一般情况。

Abstract: Based on our previous work, the rule of the ordering of the elements in A matrix has been further studied from the faetorization of G matrix and vibrational frequencies. The Freeman's method for the ordering of λ_i was discussed, and the calculations of some typical examples show that this method is not Valid in general.