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- W2271519713 abstract "We present an approach for accurate calculation of exchange energy and total energy for excited states using time independent density functional formalism. This is done by inclusion of gradient correction into the excited state exchange energy functionals developed by us. We have incorporated Becke and Perdew Wang corrections into our functional and have studied various types of excited states having one and two gaps in occupation of orbitals." @default.
- W2271519713 created "2016-06-24" @default.
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- W2271519713 date "2012-01-28" @default.
- W2271519713 modified "2023-09-27" @default.
- W2271519713 title "Accurate exchange energy and total energy for excited states: Inclusion of gradient correction" @default.
- W2271519713 hasPublicationYear "2012" @default.
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