Phys. Rev. B 53, 9579–9582 (1996)Pseudopotential calculations of nanoscale CdSe quantum dotsReceived 24 August 1995; published in the issue dated 15 April 1996 A plane-wave semiempirical pseudopotential method with nonlocal potentials and spin-orbit coupling is used to calculate the electronic structure of surface-passivated wurtzite CdSe quantum dots with up to 1000 atoms. The calculated optical absorption spectrum reproduces the features of the experimental results and the exciton energies agree to within ∼0.1 eV over a range of dot sizes. The correct form of Coulomb interaction energy with size-dependent dielectric constant is found to be essential for such good agreement. © 1996 The American Physical Society. © 1996 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.53.9579
DOI:
10.1103/PhysRevB.53.9579
PACS:
73.20.Dx, 77.22.Ej, 78.66.Hf
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