Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride
Dateien zu dieser Ressource
Datum
2021Autor
Henkel, Pascal
Mollenhauer, Doreen
Zitierlink
http://dx.doi.org/10.22029/jlupub-9130Erstpublikation in
Journal of computational chemistry 42 (2021), 1283-1295