包括电子间相关势谐函数的CFPHGLF方法

CFPHGLF Method Including the Two-body Potential Harmonics

包括电子间相关势谐函数的ＣＦＰＨＧＬＦ方法王沂轩，邓从豪（山东大学化学院，济南，２５０１００）关键词超球坐标，势谐函数，快速收敛前文［１，２］吸收相关函数（ＣＦ）的思想，与势谐函数－广义Ｌａｇｕｅｒｒｅ函数（ＧＬＦ）方法（ＰＨＧＬＦ）［３，４］相结合...

Introducing the potential harmonics for the two-body correlation,we modified thecorrelation-function potential-harmonic generalized Laguerre function method (CFPHGLF)previously proposed by us.The new CFPHGLF yields much more accurate eigenenergy forthe ground state 1 lS,and slightly better eigenenergies for the excited states 2 lS,3 lS and 4lS of the helium atom than the original CFPHGLF.