Exact Radial Solution of the Non-relativistic Schrdinger Equation for the Helium Atom with the Potential Harmonic Method

作     者：WANG Yi-xuan BU Yu-xiang LIU Cheng-bu 

作者机构：Faculty of ChemistryShandong UniversityJinan 250100P.R.China 

出 版 物：《Chemical Research in Chinese Universities》 (高等学校化学研究(英文版))

年 卷 期：2000年第16卷第3期

页      面：213-217页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学] 

基　　金：Supported by the National Natural Science Foundation of China(No. 2 970 30 0 3) 

主　　题：Potential harmonic Radial limit Schrdinger equation Helium atom 

摘      要：We proposed a simple potential harmonic(PH) scheme for calculating the non\|relativistic radial correlation energies of atomic systems. The scheme was applied to the low\|lying \%n\%\+1\%S\%(\%n\%=1,2) and \%n\%\+3\%S\%(\%n\%=2,3) states of the helium atom. The results exhibit a very stable convergence characterization in both the angular and radial directions with PH and generalized Laguerre functions(GLF) respectively, even though the method is non\|variational one. The ninth significant figure of the non\|relativistic radial energy(NRE) calculated for the ground state exactly agrees with that of the most accurate literature data from the modified configuration interaction method. The convergent NRE′s for the excited states 2\+1\%S\%, 2\+3\%S\% and 3\+3\%S\% with the similar accuracy were also obtained.