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Accuracy of Hybrid Functionals with Non-Self-Consistent Kohn-Sham Orbitals for Predicting the Properties of Semiconductors. (2020)

First Author: Skelton JM
Attributed to:  HIGH END COMPUTING MATERIALS CHEMISTRY CONSORTIUM funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.9b01218

PubMed Identifier: 32369352

Publication URI: http://europepmc.org/abstract/MED/32369352

Type: Journal Article/Review

Volume: 16

Parent Publication: Journal of chemical theory and computation

Issue: 6

ISSN: 1549-9618