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Publication Citation: Hy-CI Study of the 2 doublet S Ground State of Neutral Lithium and the First Five excited doublet S States

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Author(s): James S. Sims; Stanley A. Hagstrom;
Title: Hy-CI Study of the 2 doublet S Ground State of Neutral Lithium and the First Five excited doublet S States
Published: November 19, 2009
Abstract: High precision Hylleraas-Configuration Interaction (Hy-CI) method variational calculations are reported for the 2 doublet S ground state of neutral lithium. The nonrelativistic energy is calculated to be -7.4780 6032 3451 9 hartree, demonstrating that the Hy-CI technique is capable of sub-nanohartree accuracy for three electron systems. A Hylleraas (Hy) expansion without linked products of odd powers of $r_{ij}$ gives -7.4780 6032 3452 hartree, showing the relative unimportance of such terms for lithium at the nanohartree level of accuracy. Hy-CI calculations are also reported for the 3 doublet S, 4 doublet S, 5 doublet , 6 doublet and 7 doublet S lithium excited states.
Citation: Physical Review A (Atomic, Molecular and Optical Physics)
Volume: 80
Pages: pp. 052507-1 - 052507-8
Keywords: Hylleraas-Configuration Interaction; Hy-CI variational calculation; CI-Hy variational calculation; high precision variational calculation; lithium ground state calculation, lithium doublet S excited states
Research Areas: Atomic Structure
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