Benchmarking DFTB for Silver and Gold Materials: From Small Clusters to Bulk
Lopes Oliveira, Luiz Fernando, Tarrat, Nathalie, Cuny, Jerome, Morillo, Joseph, Lemoine, Didier, Spiegelman, Fernand, Rapacioli, MathiasLanguage:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.6b09292
Date:
September, 2016
File:
PDF, 4.75 MB
english, 2016