Effect of different density functionals on the core-level binding energies in some metals

Mali, S. J. ; Singru, R. M. ; Kanhere, D. G. (1987) Effect of different density functionals on the core-level binding energies in some metals Physics Letters A, 126 (2). pp. 127-129. ISSN 0375-9601

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/037596...

Related URL: http://dx.doi.org/10.1016/0375-9601(87)90571-8

Abstract

Core level binding energies in metallic Mg, Al, Cd, In, Sn, Sb and Te have been calculated for various popular exchange correlation potentials. Calculations have been performed within the atom-in-jellium-vacancy mode using Slater's transition state theory. Theoretical results have been compared with the experiments.

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Deposited On:15 Nov 2010 13:55
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