中国物理B ›› 2009, Vol. 18 ›› Issue (6): 2238-2243.doi: 10.1088/1674-1056/18/6/022
Serpil?akiro?lu, KadirAkgüng?r, ?smailS?kmen
Serpil Şakiroĝlu†, Kadir Akgüngör, and ìsmail Sökmen
摘要: In this study, the energy for the ground state of helium and a few helium-like ions (Z=1--6) is computed variationally by using a Hylleraas-like wavefunction. A four-parameters wavefunction, satisfying boundary conditions for coalescence points, is combined with a Hylleraas-like basis set which explicitly incorporates r12 interelectronic distance. The main contribution of this work is the introduction of modified correlation terms leading to the definition of integral transforms which provide the calculation of expectation value of energy to be done analytically over single-particle coordinates instead of Hylleraas coordinates.
中图分类号: (Variational techniques)