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Yambo: present, past and future Claudio Attaccalite
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Nano-structures: Tailoring the optical properties of Si Nws with Si/Ge mixing
M.Palummo et al. Phys. Rev. B 82, (2010)
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02 Surface Physics: a gold chain on Silicon
Nous somes six permanents plus un doctorant et un postdoc un doctorant Optical characterization of gold chains and steps on the vicinal Si(557) surface: Theory and experiment C. Hogan, N. McAlinden, J. F. McGilp Physica Status Solidi (2012)
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Photovoltaics: Excitons at the Anatase Photocatalysis, Photovoltaics
TiO2(001) surfaces Interest: Photocatalysis, Photovoltaics 02 G. Giorgi et al. Phys. Rev. B (2011) Nous somes six permanents plus un doctorant et un postdoc un doctorant
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Molecular systems: excitation in porphirines
M. Palummo et al J. Chem Phys. 131, (2009)
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Anomalous Aharonov-Bohm due to the Lorentz correction
Magnetic systems: Ab-initio Aharonov-Bohm effect Anomalous Aharonov-Bohm due to the Lorentz correction Nano Lett., 2011, 11 (10), pp 4052–4057
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Real-time spectroscopy: out-of-equilibrium electronic systems
100 fs – 1 ps
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Defects in bulks and nanostructures
Large systems: Defects in bulks and nanostructures Biological molecules Molecules on surfaces
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Magnetic systems: Kerr effect
Kerr parameters in Iron and Cobalt D. Sangalli et al. ArXiv
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Non-linear optics Non-linear optics can calculated in the same way of TD-DFT as it is done in OCTOPUS or RT-TDDFT/SIESTA codes. Quasi-monocromatich-field p-nitroaniline Y.Takimoto, Phd thesis (2008)
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Luminescence Structure-Assigned Optical Spectra of Single-Walled Carbon Nanotubes Sergei M. Bachilo et al. Science (2002)
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Expected computation advances
Better Parallelization Improved memory distribution in GW and BSE Efficient integrators for ODE Fast and scalable matrix diagolalization and inversion also for non-Hermitiam matrices Improved basis-set? Interface to other codes: CPMD, GPAW etc..
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Merci de votre attention
Bonjour, je m'appels Claudio Attaccalite, et je suis le nouvou entrée dans equide de Theorie et Simulation Numérique des Propriétés Electroniques, et aujourd'hui je vous present briévement[brievmon] que il fait mon equipe et apres mon projet de recherche. Claudio Attaccalite
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