Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (8): 1283.

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Fast Convergent Investigation in Potential-harmonic Expansion Scheme

WANG Yi-Xuan, DENG Cong-Hao   

  1. Theoretical Chemistry Laboratory, Shandong University, Jinan, 250100
  • Received:1995-03-09 Online:1995-08-24 Published:1995-08-24

Abstract: We present the correlation-function potential-harmonic generalized Laguerre function expansion method(CFPHGLF)for directly solving the Schrodinger equation for heliumlike system.In CFPHGLF scheme with the simplest spatially symmetric correlation function exp[-Z(r1+r2)],the eigenenergies for the excited(n 1S,n=2-4)states agree well with the variational ones,while the ground state eigenenergy far from the variational one. The results for the excited states are also comparable to the CFHHGLF calculation of the full basis set with the same correlation function.

Key words: Hyperspherical coordinates, Potential-harmonic, Generalized laguerre function (GLF)

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