Gradient corrections in the energy density functional |
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Authors: | JA Alonso LA Girifalco |
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Institution: | Department of Metallurgy and Materials Science and Laboratory for the Research on the Structure of Matter, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA |
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Abstract: | It is shown, by calculations in He and Ne with HF densities, that the improvement obtained when gradient corrections are added to the local approximation to the kinetic energy, arises from a detailed improvement in the kinetic energy density. |
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