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

ŞAKİROĞLU S., AKGÜNGÖR K., SÖKMEN İ.

CHINESE PHYSICS B, cilt.18, sa.6, ss.2238-2243, 2009 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 18 Sayı: 6
  • Basım Tarihi: 2009
  • Doi Numarası: 10.1088/1674-1056/18/6/022
  • Dergi Adı: CHINESE PHYSICS B
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.2238-2243
  • Anahtar Kelimeler: He isoelectronic sequence, Hylleraas basis set, electronic correlation, variational method, CORRECT CUSP CONDITIONS, 2-ELECTRON ATOMS, HELIUM-ATOM, ACCURATE, IONS
  • Dokuz Eylül Üniversitesi Adresli: Evet

Özet

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.