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Hylleraas-Configuration Interaction study of the singlet S ground state of the negative Li ion

Published

Author(s)

James S. Sims

Abstract

In a previous work Sims and Hagstrom [J. Chem. Phys. 140,224312 (2014)] reported Hylleraas- Configuration Interaction (Hy-CI) method variational calculations for the neutral atom and positive ion singlet S ground states of the beryllium isoelectronic sequence. In this work the calculations have been extended to include the negative lithium ion singlet S ground state. The best non-relativistic energy obtained was -7.500 776 596 hartree.
Citation
Journal of Physics B-Atomic Molecular and Optical Physics
Volume
50

Keywords

Hylleraas-Configuration Interaction method, Hy-CI, Li- atom (ion), ground-state energy, wave function
Created November 20, 2017, Updated November 10, 2018