超球坐标下引入含簇结构相关函数初探

PRIMARY STUDIES ON THE INTRODUCTION OF CORRELATION FUNCTION COMTAINING CLUSTER PROPERTY IN HYPERSPHERICAL COORDINATE

将包含Li原子cluster结构的两种相关函数e-α(r1 +r2 ) - βr3 和 i(2 -αr1)eα2 rie α jrj(1 i,j 3)分别引入超球坐标方法 ,并对原子基态的Schr edinger方程求解 .结果表明两种方法径向收敛均比相关函数取e-z(r1 +r2 +r3 ) 时快得多 ,且消除了本征能随广义Laguerre函数振荡的现象 ,能量本征值也均有所改善 。

Two correlation functions containing cluster property of Li atom,e -α(r 1+r 2)-βr 3 and i(2-αr i)e α2r ie -αjr j(1i,j3),were respectively introduced into the hyperspherical coordinate method,and Schr*iedinger equation of Li ground state was primarily solved by the two methods.The results indicate that the two methods converge much faster in the radial direction than the correlation function,ande -z(r 1+r 2+r 3), vibrations of eigen-energies with the number of the generalized Laguerre disappear.Eigen-energies themselves were also improved over the previous method.Therefore these methods,especially the second one,perhaps are very promissing ways to solve cluster problem.