Hylleraas-configuration-interaction analysis of the low-lying states in the three-electron Li atom and Be + ion

@article{Ruiz2013HylleraasconfigurationinteractionAO,
  title={Hylleraas-configuration-interaction analysis of the low-lying states in the three-electron Li atom and Be + ion},
  author={M. Ruiz and J. T. Margraf and A. M. Frolov},
  journal={Physical Review A},
  year={2013},
  volume={88},
  pages={012505}
}
The total energies of 28 bound S, P , D, F , G, H ,a ndI states in the three-electron Li atom and Be + ion, respectively, are determined with the use of the configuration interaction (CI) with Slater orbitals and LS eigenfunctions and the Hylleraas-configuration-interaction (Hy-CI) methods. We discuss the construction and selection of the configurations in the wave functions, optimization of the orbital exponents, and advanced computational techniques. Finally, we have developed an effective… Expand
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