摘要
在求解氦原子径向Schr dinger方程时,设计了含有四参数的基态波函数,推导出含有四参数的氦原子基态能级表达式,分别采用Matlab 7.0最优化运算和Monte-Carlo法,计算了氦原子的基态能量,得到了相应的波函数.将计算结果与其它文献采用变分法所得计算值及实验值进行了比较,结果表明:这种方法不仅计算简便有效,准确性较高,而且所得氦原子基态空间波函数自动满足空间对称性的要求.
The ground state wave function of four parameters is designed and the ground level expression of the helium atom is derived when solving the radial Schroedinger equation. The ground energy of the helium atom is evaluated by means of the optimized computation of Matlab 7.0 and the Monte-Carlo method respectively. The calculation result of this paper is compared with the value of the experiment and the calculations of other variational methods in reference. It is shown that the method of this paper not only the calculation result get much simplification and precision, but also the radial wave function of the helium atom in ground state meet the need of symmetry automatically.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2006年第6期1044-1050,共7页
Journal of Atomic and Molecular Physics
基金
国家自然科学基金(10147207)
重庆市科委自然科学基金(2005BB8267)
重庆市教委基础理论研究基金(KJ060813)
关键词
氦原子
基态能级
变分法
波函数
Helium atom, ground energy, variational method, wave function
