SCDFT

Strictly-correlated Density Functional Theory: methodology development and application to semiconductor nanostructures and ultracold atom gases

Coordinatore	STICHTING VU-VUMC    more  Organization address address: DE BOELELAAN 1105 city: AMSTERDAM postcode: 1081 HV contact info Titolo: Dr. Nome: Yvonne Cognome: Kops Email: send email Telefono: 31205987500 Fax: 31205987500
Nazionalità Coordinatore	Netherlands [NL]
Totale costo	175˙974 €
EC contributo	175˙974 €
Programma	FP7-PEOPLE Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
Code Call	FP7-PEOPLE-2012-IEF
Funding Scheme	MC-IEF
Anno di inizio	2013
Periodo (anno-mese-giorno)	2013-03-01   -   2015-11-01

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	STICHTING VU-VUMC  Organization address address: DE BOELELAAN 1105 city: AMSTERDAM postcode: 1081 HV contact info Titolo: Dr. Nome: Yvonne Cognome: Kops Email: send email Telefono: 31205987500 Fax: 31205987500	NL (AMSTERDAM)	coordinator	175˙974.60

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 Obiettivo del progetto (Objective)

'This project has two main objectives: First, to further develop and generalize the formalism of strictly-correlated Density Functional Theory (SC DFT), which is ideally suited for the study of strongly-interacting systems. Second, to apply it to the study of both semiconductor nanostructures and ultracold atom gases. This novel methodology was recently proposed by the head scientist of the project and co-workers and, despite being still in its early stage, it has already shown an enormous potential and very promising preliminary results. We will first further develop the formalism, generalizing it for a broader range of problems (for example, for non-spherically-symmetric systems), improving the accuracy and validity of the initially proposed functionals, and constructing more efficient algorithms for the involved numerical calculations. Particular emphasis will be put on the 'hybrid KS-SC DFT' approach, consisting in implementing some of the tools of SC DFT into the Kohn-Sham framework, and whose first pilot calculations have given rise to very potentially relevant results, allowing for first time for the construction of a Kohn-Sham functional able to capture the features of the strongly-interacting limit. Also, we will apply the methodology to strongly-correlated semiconductor nanostructures, studying, e.g., Wigner-localization-related phenomena that have recently been observed in experiments. SC DFT will allow us to study particle-number regimes where other approaches fail to be accurate (e.g., Kohn-Sham DFT) or computationally feasible (e.g., Configuration Interaction). Finally, we will try to generalize the formalism for its application to ultracold atom gases, and in particular to the very timely case of dipolar systems. Our aim is to further investigate symmetry-breaking and Wigner-localization effects that have recently been observed in dipolar gases in the few-body limit as a function of the orientation of the dipoles.'