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      Exchange Potential for excited states: A self- consistent DFT calculation

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          Abstract

          An LDA exchange potential is proposed for excited states and to test this potential we apply it to the excited states of atomic system. The potential is an approximate functional derivative of an accurate exchange energy functional for excited states. We show that the potential satisfies Levey- Perdew theorem for exchange energy and janak theorem for orbital energy very well in excited state cases. The potential is the first of its kind for excited state and can easily be generalized to other excited states of interest. We compare our results with those of other approaches reported in the literature.

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          Author and article information

          Journal
          21 March 2011
          Article
          1103.4043
          f8e6b515-1674-498b-98d9-7c7de8b7c241

          http://arxiv.org/licenses/nonexclusive-distrib/1.0/

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          Custom metadata
          22 pages, 4 figures
          cond-mat.other physics.atom-ph

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