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基于Numerov算法的原子束缚态波数的数值求解

Numerical Solution of Atomic Bound Wave Function Based on Numerov Algorithm
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摘要 在原子强场电离理论研究中,求解原子的基态及激发态波函数是一项重要的工作.利用Numerov算法数值求解得到了氢原子的径向波函数以及径向概率分布函数,并与氢原子的解析解进行了比较.结果表明,基于Numerov算法的数值解与解析解较为吻合,而且算法的计算效率较高.另外,利用模型势数值求解了He、Ne、Ar原子的基态及部分激发态径向波函数.通过对比H、He、Ne、Ar原子的基态波函数发现,H与Ar原子的基态波函数较为相似,而He与Ne原子的基态波函数较为接近,说明原子电离能对基态波函数有较大影响. In the study of atomic strong field ionization theory,it is an important work to solve the ground state and excited state wave function of atoms.The radial wave function and radial probability distribution function of hydrogen atom are obtained by numerical solution of Numerov algorithm,and compared with the analytical solution of hydrogen atom.The results show that the numerical solution based on Numerov algorithm is in good agreement with the analytical solution,and the computational efficiency of the algorithm is higher.In addition,the ground state and partially excited state radial wave functions of He,Ne and Ar atoms are numerically solved by using the model potential.By comparing the ground state wave functions of H,He,Ne and Ar atoms,it is found that the ground state wave functions of H and Ar atoms are similar,while the ground state wave functions of He and Ne atoms are close,indicating that the atomic ionization energy has a great influence on the ground state wave function.
作者 郭志坚 李小明 郑兴荣 孙乾 Guo Zhijian;Li Xiaoming;Zheng Xingrong;Sun Qian(College of Electrical Engineering,Longdong University,Qingyang 745000,China;Huanxian Vocational Secondary School,Qingyang 745000,China)
出处 《宁夏大学学报(自然科学版)》 CAS 2022年第4期368-373,共6页 Journal of Ningxia University(Natural Science Edition)
基金 甘肃省青年科技基金资助项目(20JR10RA135) 庆阳市自然科学基金资助项目(QY2021A-F014) 甘肃省自然科学基金资助项目(20JR10RA131)。
关键词 波函数 束缚态 薛定谔方程 数值求解 wave function bound state the Schr9dinger equation numerical solution
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