956 citations
- European Theoretical Spectroscopy FacilityBE19 papers
- Centre National de la Recherche ScientifiqueFR11 papers
- University of JyväskyläFI11 papers
- University of the Basque CountryES11 papers
- Donostia International Physics CenterES10 papers
- Fritz Haber Institute of the Max Planck SocietyDE10 papers
- Joint Institute for Nuclear ResearchRU10 papers
- University of BolognaIT9 papers
- University of Duisburg-EssenDE9 papers
- Czech Technical University in PragueCZ7 papers
- Max Planck SocietyDE7 papers
- Helsinki Institute of PhysicsFI6 papers
8 papers · 2 filters
Dependence of response functions and orbital functionals on occupation numbers
S. Kurth, C. R. Proetto, K. Capelle
Explicitly orbital-dependent approximations to the exchange-correlation energy functional of density functional theory typically not only depend on the single-particle Kohn-Sham or…
Elementary transitions and magnetic correlations in two-dimensional disordered nanoparticle ensembles
G. M. Pastor, P. J. Jensen
The magnetic relaxation processes in disordered two-dimensional ensembles of dipole-coupled magnetic nanoparticles are theoretically investigated by performing numerical simulation…
Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of van der Waals forces
Silvana Botti, Alberto Castro, Xavier Andrade +2
We present fully ab-initio calculations of van der Waals coefficients for two different situations: i) the interaction between hydrogenated silicon clusters; and ii) the interactio…
Contribution of the second Landau level to the exchange energy of the three-dimensional electron gas in a high magnetic field
J. M. Morbec, K. Capelle
We derive a closed analytical expression for the exchange energy of the three-dimensional interacting electron gas in strong magnetic fields, which goes beyond the quantum limit (L…
Resonant heating and substrate-mediated cooling of a single C60 molecule in a tunnel junction
Gunnar Schulze, Katharina J. Franke, Jose Ignacio Pascual
We study the influence of different metallic substrates on the electron induced heating and heat dissipation of single C60 molecules in the junction of a low temperature scanning t…
Formation of dispersive hybrid bands at an organic-metal interface
N. Gonzalez-Lakunza, I. Fernandez-Torrente, K. J. Franke +3
An electronic band with quasi-one dimensional dispersion is found at the interface between a monolayer of a charge-transfer complex (TTF-TCNQ) and a Au(111) surface. Combined local…