Predicting the conductance of strongly correlated molecules: the Kondo effect in perchlorotriphenylmethyl/Au junctions
Abstract
We predict the non-equilibrium molecular conductance in the Kondo regime from first principles by combining density functional theory with the renormalized super-perturbation theory.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2018
- Source ID
- 10.1039/c8nr03991g
Entities
People
- A. Droghetti
- D. Vollhardt
- Enrique T Munoz
- Ivan Rungger
- Liviu Chioncel
- M. M. Radonjić
- S. Kirchner
- W. H. Appelt
Organizations
- European Theoretical Spectroscopy Facility
- German Research Foundation
- Institute of Physics
- Marie Skłodowska-Curie Actions
- Ministry of Economy, Industry and Competitiveness
- Ministry of Education, Science and Technological Development of the Republic of Serbia
- Ministry of Science and Technology of the People's Republic of China
- National Fund for Scientific and Technological Development
- National Natural Science Foundation of China
- National Physical Laboratory
- Pontifical Catholic University of Chile
- University of Augsburg
- University of Belgrade
- University of Kentucky
- University of the Basque Country
- Zhejiang University