摘要
给出了在非正则超球坐标系下对红分子薛定谔方程进行直接求解时所涉及的所有势能矩阵元的解析表达式，以及主要的推导。在推导过程中，引入了付立叶变换及9维矢量将势能各项用超球谐函数来展开，并且利用了合流趋几何函数，拉卡系数和维格纳系数的一些性质。
This paper has given the analytical representations the potential matrix elements when solving Schrodinger equation diedy in nonregular hyperspherical coordinates , and also given the induced proass. In the induction, we introduce the Fourier transformation and 9-dimension vectr to expand the potalial functions into hyperspherical harmonic functions. In the meantime , we also utilzed some characters of Saalschutrian generalind hypergeowtric functions,Wigner coefficient and Roach Coefficient.
基金
国家重点基础研究规化和国家自然科学基金!29503019
关键词
氢分子
HH
GLF
矩阵元
超球坐标
薛定谔方程
H_2 molecule
HH-GLF method
Solving directly
Matrix elements
Hyperspherical coordinates
