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Ground-state energy and one-body virial in density functional theory of atomic ions |
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| Authors: | A. Nagy and N. H. March |
| Affiliation: | a Institute of Theoretical Physics, Kossuth Lajos University, 4010 Debrecen, Hungary b Theoretical Chemistry Department, University of Oxford, 5 South Parks Road, Oxford OX1 3UB, UK |
| Abstract: | The relation between the ground-state energy and the one-body virial is discussed. Using a result of Levy and Perdew, the exchange energy, the correlation contribution to the kinetic energy and the correlation energy are also related to the one-body virial and contribution written explicitly in terms of the density. The sum of the orbital energies is likewise expressed. |
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