126 citations · 418 across the 10 of their papers we have counts for
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Theory of Spin-Dependent Electron Transfer Dynamics at Ar/Co(0001) and Ar/Fe(110) Interfaces
Moritz Müller, Pedro Miguel Echenique, Daniel Sánchez-Portal
Recent core-hole-clock experiments [Phys. Rev. Lett. , 086801 (2014)] showed that the spin dependence of electron injection times at Ar/Co(0001) and Ar/Fe(110) interf…
Electronic stopping power in a narrow band gap semiconductor from first principles
Rafi Ullah, Fabiano Corsetti, Daniel Sánchez-Portal +1
The direction and impact parameter dependence of electronic stopping power, along with its velocity threshold behavior, is investigated in a prototypical small band gap semiconduct…
Fully self-consistent and quasi-particle self-consistent for molecules
Peter Koval, Dietrich Foerster, Daniel Sánchez-Portal
Two self-consistent schemes involving Hedin's approximation are studied for a set of sixteen different atoms and small molecules. We compare results from the fully self-consis…
Substrate-Induced Cooperative Effects in Water Adsorption from Density Functional Calculations
Pepa Cabrera-Sanfelix, M. V. Fernández-Serra, A. Arnau +1
Density Functional Theory calculations are used to investigate the role of substrate-induced cooperative effects on the adsorption of water on a partially oxidized transition metal…