Derivative discontinuity, bandgap and lowest unoccupied molecular orbital in density functional theory

Title
Derivative discontinuity, bandgap and lowest unoccupied molecular orbital in density functional theory
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 136, Issue 20, Pages 204111
Publisher
AIP Publishing
Online
2012-05-25
DOI
10.1063/1.3702391

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