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NANO - DFT Sintesi della relazione

Project ID: 980067
Finanziato nell'ambito di: FP6-MOBILITY
Paese: Argentina

Final Activity and Management Report Summary - NANO - DFT (Electronic structure of nanosystems: density functional theory approach)

The core line of research of the present project has been the development of new exchange-correlation energy functionals, specifically designed for low-dimensional systems. Main results along this line, already finished, include a careful comparison of Hartree-Fock (HF) and exact-exchange (x-OEP) density functional (DFT) calculations of the electronic properties of metallic surfaces, and the derivation of a set of exact conditions, scaling relations, and the adiabatic connection formula in finite-temperature DFT.

After the two years of the incoming phase at the freie universitaet Berlin and one year of the return phase at the centro atomico Bariloche, the fellow has published 14 works in international journals (two of them in the prestigious journal physical review letters), and submitted one more.


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