Sfoglia per Autore
Valence electronic properties of porphyrin derivatives
2010 Stenuit, G; CASTELLARIN CUDIA, C; Plekan, O; Feyer, V; Prince, Kc; Goldoni, A; Umari, Paolo
Harnessing molecular excited states with Lanczos chains
2010 Baroni, S; Gebauer, R; Malcioglu, Ob; Saad, Y; Umari, Paolo; Xian, Jw
GW quasiparticle spectra from occupied states only
2010 Umari, Paolo; Stenuit, G; Baroni, S.
Medium-range structure of vitreous SiO2 obtained through first-principles investigation of vibrational spectra
2009 Giacomazzi, L; Umari, Paolo; Pasquarello, A.
Optimal representation of the polarization propagator for large-scale GW calculations
2009 Umari, Paolo; Stenuit, G; Baroni, S.
Linear and nonlinear susceptibilities from diffusion quantum Monte Carlo: Application to periodic hydrogen chains
2009 Umari, Paolo; Marzari, N.
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
2009 Giannozzi, P; Baroni, S; Bonini, N; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; Chiarotti, Gl; Cococcioni, M; Dabo, I; DAL CORSO, A; DE GIRONCOLI, S; Fabris, S; Fratesi, G; Gebauer, R; Gerstmann, U; Gougoussis, C; Kokalj, A; Lazzeri, M; MARTIN SAMOS, L; Marzari, N; Mauri, F; Mazzarello, R; Paolini, S; Pasquarello, A; Paulatto, L; Sbraccia, C; Scandolo, S; Sclauzero, G; Seitsonen, Ap; Smogunov, A; Umari, Paolo; Wentzcovitch, Rm
Bonding at the organic/metal interface: Adenine to Cu(110)
2009 Feyer, V; Plekan, O; Prince, Kc; Sutara, F; Skala, T; Chab, V; Matolin, V; Stenuit, G; Umari, Paolo
Electronic properties of extended graphene nanomaterials from GW calculations
2009 Taioli, S; Umari, Paolo; DE SOUZA, Mm
First-principles investigation of electronic, structural, and vibrational properties of a-Si3N4
2009 Giacomazzi, L; Umari, Paolo
Hyper-Raman spectrum of vitreous silica from first-principles
2007 Umari, Paolo; Pasquarello, A.
Vibrational spectra of vitreous germania from first-principles
2006 Giacomazzi, L; Umari, Paolo; Pasquarello, A.
Comment on "fraction of boroxol rings in vitreous boron oxide from a first-principles analysis of Raman and NMR spectra" Umari and Pasquarello reply
2006 Umari, Paolo; Pasquarello, A.
Dielectric response of periodic systems from quantum Monte Carlo
2005 Umari, Paolo; WILLIAMSON A., J; Galli, G; Marzari, N.
Medium-range structural properties of vitreous germania obtained through first-principles analysis of vibrational spectra
2005 Giacomazzi, L; Umari, Paolo; Pasquarello, A.
Infrared and Raman spectra of disordered materials from first-principles
2005 Umari, Paolo; Pasquarello, A.
Density Functional Theory with Finite Electric Fields
2005 Umari, Paolo; Pasquarello, A.
Fraction of broxol rings in vitreous boron oxide from a first-principles analysis of Raman and NMR spectra
2005 Umari, Paolo; Pasquarello, A.
Dielectric susceptibilities of dipolar liquids by ab initio molecular dynamics: application to liquid HCl
2004 Dubois, V; Umari, Paolo; Pasquarello, A.
Finite electric fields in density functional calculations with periodic boundary conditions
2004 Umari, Paolo; Pasquarello, A.
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