An energy density functional-pseudopotential method for calculating the cohesive properties of metals |
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Authors: | James R Chelikowsky |
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Institution: | Department of Physics and Institute of Theoretical Science, University of Oregon Eugene, Oregon 97403, USA |
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Abstract: | The great advantages of Thomas-Fermi approaches are their simplicity, flexibility and physical immediacy. However, it is generally accepted that such approaches are not capable of yielding quantitative results for the cohesive properties of metals. I demonstrate within the Thomas-Fermi approach that if one employs hard-core pseudopotentials derived from atomic charge densities, then accurate static properties for simple metals can be obtained. |
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