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Phys. Rev. A 73, 022503 (2006) [7 pages]

Ground-state wave function and energy of the lithium atom

Mariusz Puchalski and Krzysztof Pachucki
Institute of Theoretical Physics, Warsaw University, Hoza 69, 00-681 Warsaw, Poland
Received 28 November 2005; published 6 February 2006

Highly accurate nonrelativistic ground-state wave function and energy of the lithium atom are obtained in the Hylleraas basis set. The leading relativistic corrections, as represented by the Breit-Pauli Hamiltonian, are obtained in fair agreement with the former results. The calculational method is based on analytical evaluation of Hylleraas integrals with the help of recursion relations.

©2006 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevA.73.022503
DOI: 10.1103/PhysRevA.73.022503
PACS: 31.25.Eb; 31.30.Jv; 31.15.Pf; 02.70.-c
  • 31.25.Eb
    Electron-correlation calculations for atoms and ions: ground state
  • 31.30.Jv
    Relativistic and quantum electrodynamic effects in atoms and molecules
  • 31.15.Pf
    Variational techniques (atoms and molecules)
  • 02.70.-c
    Computational techniques
  • YEAR: 2006
KEYWORDS: lithium, ground states, relativistic corrections, wave functions

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