Sfoglia per Autore
Gauge Invariance of Thermal Transport Coefficients
2016 Ercole, Loris; Marcolongo, Aris; Umari, Paolo; Baroni, Stefano
Electronic and optical properties of MAPbX3perovskites (X = I, Br, Cl): a unified DFT and GW theoretical analysis
2016 Mosconi, Edoardo; Umari, Paolo; De Angelis, Filippo
Electronic and optical properties of mixed Sn-Pb organohalide perovskites: A first principles investigation
2015 Mosconi, Edoardo; Umari, Paolo; De Angelis, Filippo
Microscopic theory and quantum simulation of atomic heat transport
2015 Marcolongo, Aris; Umari, Paolo; Baroni, Stefano
Detailed analysis of plastic shear in the Raman spectra of SiO2 glass
2015 Shcheblanov, Nikita S; Mantisi, Boris; Umari, Paolo; Tanguy, Anne
First-principles investigation of organic photovoltaic materials C60, C70, [C60]PCBM, and bis- [C60]PCBM using a many-body G0W0 -Lanczos approach FIRST-PRINCIPLES INVESTIGATION of ORGANIC ... XIAOFENG QIAN, PAOLO UMARI, and NICOLA MARZARI
2015 Qian, Xiaofeng; Umari, Paolo; Marzari, Nicola
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting
2014 Anna, Amat; Edoardo, Mosconi; Enrico, Ronca; Claudio, Quarti; Umari, Paolo; Nazeeruddin, M. d. K.; Michael, Grätzel; Filippo De, Angelis
Relativistic GW calculations on CH3 NH3 PbI 3 and CH3 NH3 SnI3 Perovskites for Solar Cell Applications
2014 Umari, Paolo; Edoardo, Mosconi; Filippo De, Angelis
Approximate treatment of semicore states in GW calculations with application to Au clusters
2014 Jiawei, Xian; Stefano, Baroni; Umari, Paolo
Solid state effects on the electronic structure of H2OEP
2014 Marsili, Margherita; Umari, Paolo; G., Di Santo; M., Caputo; M., Panighel; A., Goldoni; M., Kumar; M., Pedio
Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules
2014 Carla, Verdi; Edoardo, Mosconi; Filippo De, Angelis; Marsili, Margherita; Umari, Paolo
Energy-level alignment in organic dye-sensitized TiO2 from GW calculations
2013 Umari, Paolo; L., Giacomazzi; F., De Angelis; M., Pastore; Stefano, Baroni
Method for the fast evaluation of Fock exchange for nonlocalized wave functions
2013 Marsili, Margherita; Umari, Paolo
Are carbon nanotubes still a viable option for ITRS 2024?2013 IEEE International Electron Devices Meeting
2013 P. B., Pillai; Umari, Paolo; M. M., De Souza
Communication: Electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations
2012 Umari, Paolo; O., Petrenko; S., Taioli; M. M., De Souza
Importance of semicore states in GW calculations for simulating accurately the photoemission spectra of metal phthalocyanine molecules
2012 Umari, Paolo; S., Fabris
Photoelectron properties of DNA and RNA bases from many-body perturbation theory
2011 X., Qian; Umari, Paolo; N., Marzari
Valence electronic structure of the indene molecule: Experiment vs. GW calculations
2011 Umari, Paolo; CASTELLARIN CUDIA, C; Feyer, V; DI SANTO, G; Borghetti, P; Sangaletti, L; Stenuit, G; Goldoni, A.
Accelerating GW calculations with optimal polarizability basis
2011 Umari, Paolo; Qian, X; Marzari, N; Stenuit, G; Giacomazzi, L; Baroni, S.
GW quasiparticle spectra from occupied states only
2010 Umari, Paolo; Stenuit, G; Baroni, S.
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile