A local-density approximation for the exchange energy functional for excited states: The band-gap problem

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DC Field	Value	Language
dc.contributor.author	Samal, Prasanjit	-
dc.date.accessioned	2024-11-18T12:07:48Z	-
dc.date.available	2024-11-18T12:07:48Z	-
dc.date.issued	2009-05-01	-
dc.identifier.citation	Rahaman, M., Ganguly, S., Samal, P., Harbola, M. K., Saha-Dasgupta, T., & Mookerjee, A. (2009). A local-density approximation for the exchange energy functional for excited states: The band-gap problem. Physica. B, Condensed Matter, 404(8–11), 1137–1142.	en_US
dc.identifier.uri	https://doi.org/10.1016/j.physb.2008.11.074	-
dc.identifier.uri	http://idr.niser.ac.in:8080/jspui/handle/123456789/883	-
dc.description.abstract	We present excited-state density functional theory (DFT) to calculate band gap for semiconductors and insulators. For the excited-state exchange-correlation functional, we use a simple local-density approximation (LDA) like functional and it gives the result which is very close to experimental results. The linear muffin-tin potential is used to solve the self-consistent Kohn–Sham equation.	en_US
dc.language.iso	en	en_US
dc.publisher	Physica B: Condensed Matter	en_US
dc.title	A local-density approximation for the exchange energy functional for excited states: The band-gap problem	en_US
dc.type	Article	en_US
Appears in Collections:	Journal Papers

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