Acta Chimica Sinica ›› 1980, Vol. 38 ›› Issue (4): 305-310.

分子轨道的差分方程法

1. 北京工业学院
• 投稿日期:1978-06-20 发布日期:2013-06-03

MOLECULAR ORBIT DETERMINATION BY SOLVING THE DIFFERENCE EQUATION

LI XIANG-PING

1. Beijing Institute of Technology
• Received:1978-06-20 Published:2013-06-03

The determination of the energy level formula of molecular orbit and the determination of orbit coefficient formula by the method of solving the difference equation is presented.Concreta calculations have been made, taking straight chain conjugated olefins and monocyclic ring conjugated olefins as examples.The orbit coeflicienta is taken as a function of the code number q of an atom and this function is called the carrier wave of the molecular orbit,α=f(q) is used to represent the carrier wave.A difference eqnation is used to replace the simultaneous equations of the orbit.