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Chin. Phys. B, 2009, Vol. 18(6): 02238    DOI: 10.1088/1674-1056/18/6/022
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

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

Serpil ?akiro?lu, Kadir Akgüng?r, ?smail S?kmen
Physics Department, Dokuz Eylül University,Buca-?zmir 35160, Turkey
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 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.
Keywords:  variational method      He isoelectronic sequence      Hylleraas basis set      electronic correlation     
Received:  31 July 2008      Published:  20 June 2009
PACS:  31.15.xt (Variational techniques)  
  31.10.+z (Theory of electronic structure, electronic transitions, and chemical binding)  
Fund: Project supported by the Cumhuriyet University National MOVPE Crystal Growth and Characterization Laboratory, DPT-K 120, TUBITAK (Grant Nos TBAG 105T492, TBAG 107T012, and TBAG-108T015).

Cite this article: 

Serpil ?akiro?lu, Kadir Akgüng?r, ?smail S?kmen Ground state energy of He isoelectronic sequence treated variationally via Hylleraas-like wavefunction 2009 Chin. Phys. B 18 02238

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