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Please use this identifier to cite or link to this item: http://hdl.handle.net/123456789/559

Title: A local-density approximation for the exchange energy functional for excited states : the band gap problem
Authors: Rahaman, Moshiour
Ganguly, Shreemoyee
Samal, Prasanjit
Harbola, Manoj Kumar
Saha-Dasgupta, Tanusri
Mookerjee, Abhijit
Keywords: Excited state density functionals
Band gaps
Issue Date: 2008
Publisher: Physica B: Condes. Matt
Citation: M. Rahaman, S. Ganguly, P. SamaI, M. K. Harbola, T. Saha-Dasgupta, A. Mookerjee, "A local-density approximation for the exchange energy functional for the excited states:the band-gap problem", Physica B: Condes. Matt, 404, (2008), 1137
Abstract: We present excited states density functional theory (DFT) to calculate band gap for semiconductors and insulators. For the excited states exchange-correlation functional, we use a simple local density approximation (LDA) like functional and it gives the result which is very closed to experimental results. The linear muffin-tin potential is used to solve the self consistent Kohn-Sham equation.
URI: http://hdl.handle.net/123456789/559
Appears in Collections:2008

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