Acta Chimica Sinica ›› 1982, Vol. 40 ›› Issue (9): 847-850. Previous Articles     Next Articles

聚省分子轨道的差分方程法

周正宇, 戴宏图   

  1. 曲阜师范学院
  • 投稿日期:1981-04-19 发布日期:2013-06-03
  • 通讯作者: 周正宇

POLYCENE MOLECULAR ORBITAL DETERMINATION BY SOLVING THE DIFFERENCE EQUATION

ZHOU ZHENG-YU, DAI HONG-TU   

  1. Department of Chemistry, Qufu Teachers' College
  • Received:1981-04-19 Published:2013-06-03

The determination of the energy level of polyoene molecular orbit and the deterurination of the orbital coefficient by solving the difference equation are presented.The orbital coefficient C is taken as a function of code number q of atom and this function is called the carrier wave of the molecular orbit.As the atoms may he divided into two kinds of atom group orbit in polyoene molecule,the simultaneous equation set of the polyoene molecule may be changed into the difference equation set of the carrier wave aq and bq,then the equation set goes as following.