Chapter 11: Predicting Polaronic Defect States by Means of Generalized Koopmans Density Functional Calculations

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

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Original languageAmerican English
Title of host publicationAdvanced Calculations for Defects in Materials
Subtitle of host publicationElectronic Structure Methods
PublisherWiley-VCH
Pages183-199
Number of pages17
ISBN (Print)9783527410248
DOIs
StatePublished - 2011

NREL Publication Number

  • NREL/CH-5900-49835

Keywords

  • Defects
  • Density functional theory
  • Hybrid functionals
  • Polarons

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