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.
Fundamental gaps of quantum dots on the cheap / Guandalini, Alberto; Rozzi, Carlo A.; Räsänen, Esa; Stefano Pittalis, And. - In: PHYSICAL REVIEW. B. - ISSN 2469-9969. - 99:(2019), p. 125140.
Fundamental gaps of quantum dots on the cheap
Alberto Guandalini;
2019
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.File allegati a questo prodotto
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