Sims, J.
(2017),
Hylleraas-Configuration Interaction study of the singlet S ground state of the negative Li ion, Journal of Physics B-Atomic Molecular and Optical Physics, [online], https://doi.org/10.1088/1361-6455/aa961e
(Accessed December 9, 2024)
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Hylleraas-Configuration Interaction study of the singlet S ground state of the negative Li ion
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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
Pub Type
Journals
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Keywords
Hylleraas-Configuration Interaction method, Hy-CI, Li- atom (ion), ground-state energy, wave function
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Created November 20, 2017, Updated November 10, 2018