多原子分子高激发振动能谱的非线性量子理论计算的程序化  

Routinized calculation of highly vibrational energy spectra of polyatomic molecules with non linear quantum theory

作　　者：肖长明 罗久里[2] 

机构地区：[1]湖南师大物理系,长沙410081 [2]四川大学化学系,成都610064

出　　处：《原子与分子物理学报》1999年第4期565-571,共7页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金!资助项目"分子激发态能谱及其涨落统计特征研究"(批准号 2 9673 0 2 8)

摘　　要：以占有数表象为基础,通过编程,实现了不同分子各激发态波函数的基、基矢、完备的基矢空间及该空间中的Hamiltonian算符矩阵元的计算。With the occupation number representation, all the base vectors, the annihilation and creation operators can be expressed in matrices, then the problem of getting the elements of the Hamiltonian matrix and its eigen values are deduced to the calculation of related matrices. All of them have been carried out in a routine in this paper.

关 键 词：量子自陷理论 占有数表象 分子 振动能谱 

分 类 号：O561.3[理学—原子与分子物理]