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Improving band gap prediction in density functional theory from molecules to solids

Publication ,  Journal Article
Zheng, X; Cohen, AJ; Mori Sanchez, P; Hu, XQ; Yang, WT
Published in: Physical Review Letters
2011

Duke Scholars

Published In

Physical Review Letters

Publication Date

2011

Issue

107

Start / End Page

026403

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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Zheng, X., Cohen, A. J., Mori Sanchez, P., Hu, X. Q., & Yang, W. T. (2011). Improving band gap prediction in density functional theory from molecules to solids. Physical Review Letters, (107), 026403.
Zheng, X., A. J. Cohen, P. Mori Sanchez, X. Q. Hu, and W. T. Yang. “Improving band gap prediction in density functional theory from molecules to solids.” Physical Review Letters, no. 107 (2011): 026403.
Zheng X, Cohen AJ, Mori Sanchez P, Hu XQ, Yang WT. Improving band gap prediction in density functional theory from molecules to solids. Physical Review Letters. 2011;(107):026403.
Zheng, X., et al. “Improving band gap prediction in density functional theory from molecules to solids.” Physical Review Letters, no. 107, 2011, p. 026403.
Zheng X, Cohen AJ, Mori Sanchez P, Hu XQ, Yang WT. Improving band gap prediction in density functional theory from molecules to solids. Physical Review Letters. 2011;(107):026403.

Published In

Physical Review Letters

Publication Date

2011

Issue

107

Start / End Page

026403

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences