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20082023
most citedThe PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

2.2k citations · 6k across the 49 of their papers we have counts for

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cond-mat.mes-hall2012★ 12 cited

Functionality in single-molecule devices: Model calculations and applications of the inelastic electron tunneling signal in molecular junctions

L. K. Dash, H. Ness, M. J. Verstraete +1

We analyze how functionality could be obtained within single-molecule devices by using a combination of non-equilibrium Green's functions and ab-initio calculations to study the in…