Ground state energy of He isoelectronic sequence treated variationally via Hylleraas-like wavefunction

ŞAKİROĞLU S., AKGÜNGÖR K., SÖKMEN İ.

CHINESE PHYSICS B, vol.18, no.6, pp.2238-2243, 2009 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 18 Issue: 6
  • Publication Date: 2009
  • Doi Number: 10.1088/1674-1056/18/6/022
  • Journal Name: CHINESE PHYSICS B
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.2238-2243
  • Keywords: He isoelectronic sequence, Hylleraas basis set, electronic correlation, variational method, CORRECT CUSP CONDITIONS, 2-ELECTRON ATOMS, HELIUM-ATOM, ACCURATE, IONS
  • Dokuz Eylül University Affiliated: Yes

Abstract

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 r(12) 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.