Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride - researchr publication

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Pascal Henkel, Doreen Mollenhauer. Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride. Journal of Computational Chemistry, 42(18):1283-1295, 2021. [doi]

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