Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitals

Summary

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Authors: Francesc ViƱes, Francesc Illas

Journal title: Journal of Computational Chemistry

Journal number: 38/8

Journal publisher: John Wiley & Sons Inc.

Published year: 2017

Published pages: 523-529

DOI identifier: 10.1002/jcc.24705

ISSN: 0192-8651