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Corrections to density-functional theory band gaps

✍ Scribed by Johnson, Kurt A.; Ashcroft, N. W.


Book ID
126101806
Publisher
The American Physical Society
Year
1998
Tongue
English
Weight
209 KB
Volume
58
Category
Article
ISSN
1098-0121

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Band gaps in solids and excitation energies in finite systems are underestimated significantly if estimated from differences between eigenvalues Ε½ . 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