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physics.comp-phFeb 19, 2019
5
citations (OpenAlex)
authors
  • Alberto Guandalini
  • Carlo Andrea Rozzi
  • Esa Räsänen
  • Stefano Pittalis
institutions
  • Istituto Nanoscienze
  • Tampere University
  • University of Modena and Reggio Emilia
arXiv abstractPDF
paper

Fundamental gaps of quantum dots on the cheap

arXiv:1902.07001 · doi:10.1103/PhysRevB.99.125140

Abstract

We show that the fundamental gaps of quantum dots can be accurately estimated at the computational effort of a standard ground-state calculation supplemented with a non self-consistent step of negligible cost, all performed within density-functional theory at the level of the local-density approximation.

References in corpus (8)

  • Full configuration interaction approach to the few-electron problem in artificial atoms
  • Piecewise Linearity of Approximate Density Functionals Revisited: Implications for Frontier Orbital Energies
  • Kohn-Sham potentials in exact density-functional theory at non-integer electron numbers
  • Restoration of the Derivative Discontinuity in Kohn-Sham Density Functional Theory: An Efficient Scheme for Energy Gap Correction
  • Exchange-energy functionals for finite two-dimensional systems
  • Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory
  • Energy gaps and interaction blockade in confined quantum systems
  • Addition and removal energies of circular quantum dots
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