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http://idr.niser.ac.in:8080/jspui/handle/123456789/883| Title: | A local-density approximation for the exchange energy functional for excited states: The band-gap problem |
| Authors: | Samal, Prasanjit |
| Issue Date: | 1-May-2009 |
| Publisher: | Physica B: Condensed Matter |
| 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. |
| 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. |
| URI: | https://doi.org/10.1016/j.physb.2008.11.074 http://idr.niser.ac.in:8080/jspui/handle/123456789/883 |
| Appears in Collections: | Journal Papers |
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