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Analysis of a capped carbon nanotube by linear-scaling density-functional theory

C J Edgcombe1, S M Masur1, E B Linscott2

  • 1TFM Group, Department of Physics, University of Cambridge, Cambridge CB3 0HE, United Kingdom.

Ultramicroscopy
|January 15, 2019
PubMed

Keywords:
Carbon nanotubeCharge densityDensity functional theoryDensity of statesFermi levelKohn-Sham orbitalWannier functions

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