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Sfoglia per Autore  UMARI, PAOLO

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Mostrati risultati da 1 a 20 di 32
Titolo Data di pubblicazione Autore(i) File
Hyper-Raman spectrum of vitreous silica from first principles 1-gen-2007 Umari, P; Pasquarello, A
Electronic properties of extended graphene nanomaterials from GW calculations 1-gen-2009 Taioli, S.; Umari, P.; De Souza, M. M.
QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials 1-gen-2009 Giannozzi, P; Baroni, S; Bonini, N; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; L Chiarotti, G; Cococcioni, M; Dabo, I; DAL CORSO, Andrea; Fabris, S; Fratesi, G; DE GIRONCOLI, STEFANO MARIA; Gebauer, R; Gerstmann, U; Gougoussis, C; Kokalj, A; Lazzeri, M; Martinsamos, L; Marzari, N; Mauri, F; Mazzarello, R; Paolini, S; Pasquarello, A; Paulatto, L; Sbraccia, C; Scandolo, S; Sclauzero, G; P Seitsonen, A; Smogunov, A; Umari, P; M Wentzcovitch, R
Harnessing molecular excited states with Lanczos chains 1-gen-2010 Baroni, Stefano; Gebauer, Ralph; Malcioglu, O Baris; Saad, Yousef; Umari, Paolo; Xian, Jiawei
Valence electronic properties of porphyrin derivatives 1-gen-2010 Stenuit, G; Castellarincudia, C; Plekan, O; Feyer, V; Prince, K C; Goldoni, A; Umari, P
GW quasiparticle spectra from occupied states only 1-gen-2010 Umari, P; Stenuit, Geoffrey; Baroni, Stefano
Valence electronic structure of the indene molecule: Experiment vs. GW calculations 1-gen-2011 Umari, P; Castellarincudia, C; Feyer, V; Di Santo, G; Borghetti, P; Sangaletti, L; Stenuit, G; Goldoni, A
Accelerating GW calculations with optimal polarizability basis 1-gen-2011 Umari, P; Qian, X; Marzari, N; Stenuit, G; Giacomazzi, L; Baroni, S
Photoelectron properties of DNA and RNA bases from many-body perturbation theory 1-gen-2011 Qian, Xiaofeng; Umari, Paolo; Marzari, Nicola
Communication: Electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations 1-gen-2012 Umari, P; Petrenko, O; Taioli, S; De Souza, M M
Energy-level alignment in organic dye-sensitized TiO<sub>2</sub> from GW calculations 1-gen-2013 Umari, P; Giacomazzi, L; De Angelis, F; Pastore, M; Baroni, Stefano
Method for the fast evaluation of Fock exchange for nonlocalized wave functions 1-gen-2013 Marsili, Margherita; Umari, P
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting 1-gen-2014 Amat, Anna; Mosconi, Edoardo; Ronca, Enrico; Quarti, Claudio; Umari, Paolo; Nazeeruddin Md, K; Graetzel, Michael; DE ANGELIS, Filippo
Approximate treatment of semicore states in GW calculations with application to Au clusters 1-gen-2014 Xian, Jiawei; Baroni, Stefano; Umari, P.
Solid state effects on the electronic structure of H2OEP 1-gen-2014 Marsili, M.; Umari, P.; Di Santo, G.; Caputo, M.; Panighel, M.; Goldoni, A.; Kumar, M.; Pedio, M.
Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules 1-gen-2014 Verdi C.; Mosconi E.; De Angelis F.; Marsili M.; Umari P.
Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications 1-gen-2014 Umari, Paolo; Mosconi, Edoardo; DE ANGELIS, Filippo
First-principles investigation of organic photovoltaic materials C-60, C-70, [C-60]PCBM, and bis-[C-60]PCBM using a many-body G(0)W(0)-Lanczos approach 1-gen-2015 Xiaofeng Qian; Paolo Umari;;Nicola Marzari;
Electronic and optical properties of mixed Sn-Pb organohalide perovskites: A first principles investigation 1-gen-2015 Mosconi E.; Umari P.; De Angelis F.
Chlorine Incorporation in the CH3NH3PbI3 Perovskite: Small Concentration, Big Effect 1-gen-2016 Claudio Quarti; Edoardo Mosconi; Paolo Umari; Filippo De Angelis
Mostrati risultati da 1 a 20 di 32
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