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Band-structure calculations for semiconductors within generalized-density-functional theory

✍ Scribed by Remediakis, I.; Kaxiras, Efthimios


Book ID
115544581
Publisher
The American Physical Society
Year
1999
Tongue
English
Weight
177 KB
Volume
59
Category
Article
ISSN
1098-0121

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The Euler-Lagrange equation in density functional theory is generally a differential (or integro-differential) equation. An integral equation for direct calculations has been obtained from the Euler-Lagrange equation. It is easier to solve the new equation numerically than the original differential