178 citations
- Centre National de la Recherche ScientifiqueFR11 papers
- University of KonstanzDE10 papers
- University of PatrasGR9 papers
- Durham UniversityGB8 papers
- École Normale Supérieure de LyonFR8 papers
- Foundation for Research and Technology HellasGR7 papers
- National Technical University of AthensGR7 papers
- Forschungszentrum JülichDE6 papers
- Freie Universität BerlinDE6 papers
- Max Planck Institute of Microstructure PhysicsDE6 papers
- National and Kapodistrian University of AthensGR6 papers
- European Theoretical Spectroscopy FacilityBE5 papers
10 papers · 1 filter
Structure of the first order Reduced Density Matrix in three electron systems: A Generalized Pauli Constraints assisted study
Iris Theophilou, Nektarios Lathiotakis, Nicole Helbig
We investigate the structure of the one-body Reduced Density Matrix (1RDM) of three electron systems, i.e. doublet and quadruplet spin configurations, corresponding to the smallest…
Atomistic potential for graphene and other sp carbon systems
Zacharias G. Fthenakis, George Kalosakas, Georgios D. Chatzidakis +3
We introduce a torsional force field for sp carbon to augment an in-plane atomistic potential of a previous work (Kalosakas et al, J. Appl. Phys. {\bf 113}, 134307 (2013)) so t…
SKOS Concepts and Natural Language Concepts: an Analysis of Latent Relationships in KOSs
Anna Mastora, Manolis Peponakis, Sarantos Kapidakis
The vehicle to represent Knowledge Organization Systems (KOSs) in the environment of the Semantic Web and linked data is the Simple Knowledge Organization System (SKOS). SKOS provi…
A Torsional potential for graphene derived from fitting to DFT results
Georgios D. Chatzidakis, George Kalosakas, Zacharias G. Fthenakis +1
We present a simple torsional potential for graphene to accurately describe its out-of-plane deformations. The parameters of the potential are derived through appropriate fitting w…
Towards a formal definition of static and dynamic electronic correlations
Carlos L. Benavides-Riveros, Nektarios N. Lathiotakis, Miguel A. L. Marques
Some of the most spectacular failures of density-functional and Hartree-Fock theories are related to an incorrect description of the so-called static electron correlation. Motivate…
Pulsed laser deposition of ZnO thin films decorated with Au and Pd nanoparticles with enhanced acetone sensing performance
M. Alexiadou, M. Kandyla, G. Mousdis +1
We fabricate and compare nanocomposite thin-film ZnO chemoresistive acetone sensors with gold or palladium nanoparticles on the surface, at low operating temperatures. The sensors…