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Kunz, A.B. Woodward, Christopher 2011-06-03T17:29:17Z 2011-06-03T17:29:17Z 10000-01-01 1986 Norm conserving pseudopotentials are implemented in the Hartree Fock formalism to study the local electronic response to X-Ray absorption in alkali metals and alloys. The pseudopotentials are tested in a variety of environments and results are compared to full core Hartree Fock results and experiment. It is found that this methodology reproduces experimental results as accurately as the full core Hartree Fock theory. Correlation corrections are included using many body Raleigh Schrodinger perturbation theory. The local absorption spectra of lithium, sodium and potassium are investigated. Accurate excitation energies are obtained for these metals and dilute alloys of potassium and rubidium in lithium. We find that the response of the local valence band qualitatively confirms the theory of Mahan, Nozieres and De Dominicis and quantitatively conflicts with the recently proposed theory of Flynn et al. Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-03T17:29:17Z No. of bitstreams: 1 1986_woodward.pdf: 3255582 bytes, checksum: 9b10664b9b9e249d7ba024d92784862c (MD5) Made available in DSpace on 2011-06-03T17:29:17Z (GMT). No. of bitstreams: 1 1986_woodward.pdf: 3255582 bytes, checksum: 9b10664b9b9e249d7ba024d92784862c (MD5) Previous issue date: 1986 Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Carolyn Mead (cmead2@illinois.edu) on 2011-06-03T17:29:17Z Item is restricted indefinitely. Restriction data tranferred 2014-07-01T11:14:04-05:00 Original Data Group with Access UIUC Users [automated] Release Date: none Reason: Thesis Thesis U of I Only 889034 http://hdl.handle.net/2142/25266 en 1986 Christopher Woodward norm conserving pseudopotentials Hartree Fock formalism ab initio e-ray edge alkali metals The x-ray edge in alkali metals and alloys, an ab-initio study Dissertation / Thesis text Physics Physics University of Illinois at Urbana-Champaign Dissertation Ph.D.