摘要
利用相关函数一超球谐-广义Laguerre函数方法(CFHHGLF),研究He原子3S态波函数向超球谐函数展开的收敛行为.截止于l=0,1,2的超球谐函数给出的本征能分别与组态相互作用(CI)的s-、sp-、spd-极限能一致.仅用44个超球谐函数,便得到了与精确的HylleraasCI变分能量小数点后第5位的23S、33S和43S态本征能吻合.
The convergence patterns of the hyperspherical harmonic expansion for theexcited 3S states of the helium atom have been studied with the correlation function-hyperspherlcal harmonic-generalized Laguerre function method(CFHHGLF). The convergenteigenenergies at l=0, 1, 2 agree well with the s-limits, sp-limits and spd-limits of the configurationinteraction (CI) method. With only 44 hyperspherical harmonics, the eigenenergies of the 2 3S,33S and 4 3S states are the same as those from the exact Hylleraas variational method.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1997年第11期1829-1832,共4页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
山东大学跨世纪人才基金
山东大学青年基金
关键词
超球谐
波函数
CFHHGLF
氦原子
3S态
Hyperspherical harmonic, Radial correlation, Angular correlation, ~3S states of the helium atom