956 citations
- European Theoretical Spectroscopy FacilityBE19 papers
- Centre National de la Recherche ScientifiqueFR11 papers
- University of JyväskyläFI11 papers
- Fritz Haber Institute of the Max Planck SocietyDE10 papers
- University of the Basque CountryES10 papers
- Donostia International Physics CenterES9 papers
- Joint Institute for Nuclear ResearchRU9 papers
- University of BolognaIT9 papers
- University of Duisburg-EssenDE9 papers
- Czech Technical University in PragueCZ6 papers
- Helsinki Institute of PhysicsFI6 papers
- Istituto Nazionale di Fisica Nucleare, Sezione di BolognaIT6 papers
Showing 2006 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2006★ 1 cited
Multicomponent Density-Functional Theory for Electrons and Nuclei
Thomas Kreibich, Robert van Leeuwen, E. K. U. Gross
We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer appr…
cond-mat.mtrl-sci2006★ 12 cited
Scanning tunneling microscopy simulations of poly(3-dodecylthiophene) chains adsorbed on highly oriented pyrolytic graphite
M. Dubois, S. Latil, L. Scifo +2
We report on a novel scheme to perform efficient simulations of Scanning Tunneling Microscopy (STM) of molecules weakly bonded to surfaces. Calculations are based on a tight bindin…