An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT
Author:
Affiliation:
1. Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via R. Cozzi 55, I-20125 Milano, Italy
2. Theoretische Chemie, Technische Universität Dresden, 01062 Dresden, Germany
Funder
H2020 European Research Council
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5085190
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