Immersion energies of atoms in jellium
Immersion energies of atoms in a jellium environment were calculated using density functional theory and the Kohn-Sham (KS) equations. It was found that the KS scheme does not destroy an existing axial symmetry of the electron structure of the impurity atom. The definition of phase shifts was extend...
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| Language: | en_US |
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2012
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| Online Access: | http://hdl.handle.net/1957/33484 |