Fundamental gaps of quantum dots on the cheap

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 approxima...

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Bibliographic Details
Published in:arXiv.org 2019-02
Main Authors: Guandalini, Alberto, Rozzi, Carlo Andrea, Räsänen, Esa, Pittalis, Stefano
Format: Article
Language:English
Subjects:
Density functional theory
Quantum dots
Online Access:Get full text
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Summary: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.
ISSN:2331-8422