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Density-functional theory of the band gap

✍ Scribed by Sham, L. J.; Schlüter, M.


Book ID
121240422
Publisher
The American Physical Society
Year
1985
Tongue
English
Weight
410 KB
Volume
32
Category
Article
ISSN
1098-0121

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✍ Salzner, U.; Lagowski, J. B.; Pickup, P. G.; Poirier, R. A. 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 224 KB

Band gaps in solids and excitation energies in finite systems are underestimated significantly if estimated from differences between eigenvalues Ž . obtained within the local spin density approximation LSDA . In this article we present results on 20 small-and medium-sized -systems which show that HO