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20052024
most citedThe PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

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cond-mat.mtrl-sci2008★ 34 cited

First-principles study of the optical properties of MgxTi(1-x)H2

M. J. van Setten, S. Er, G. Brocks +2

The optical and electronic properties of Mg-Ti hydrides are studied using first-principles density functional theory. Dielectric functions are calculated for MgxTi(1-x)H2 with comp…