Time-dependent density functional tight binding: new formulation and benchmark of excited states F Trani, G Scalmani, G Zheng, I Carnimeo, MJ Frisch, V Barone
Journal of Chemical Theory and Computation 7 (10), 3304-3313, 2011
147 2011 Simultaneously B-and P-doped silicon nanoclusters: Formation energies and electronic properties S Ossicini, E Degoli, F Iori, E Luppi, R Magri, G Cantele, F Trani, D Ninno
Applied Physics Letters 87 (17), 2005
121 2005 Tight-binding calculation of the optical absorption cross section of spherical and ellipsoidal silicon nanocrystals F Trani, G Cantele, D Ninno, G Iadonisi
Physical Review B—Condensed Matter and Materials Physics 72 (7), 075423, 2005
116 2005 Ab initio calculations of electron affinity and ionization potential of carbon nanotubes F Buonocore, F Trani, D Ninno, A Di Matteo, G Cantele, G Iadonisi
Nanotechnology 19 (2), 025711, 2007
114 2007 The rutile TiO2 (110) surface: Obtaining converged structural properties from first-principles calculations KJ Hameeuw, G Cantele, D Ninno, F Trani, G Iadonisi
The Journal of chemical physics 124 (2), 2006
114 2006 Engineering silicon nanocrystals: theoretical study of the effect of codoping with boron and phosphorus F Iori, E Degoli, R Magri, I Marri, G Cantele, D Ninno, F Trani, O Pulci, ...
Physical Review B—Condensed Matter and Materials Physics 76 (8), 085302, 2007
113 2007 Effects of Electronic and Lattice Polarization on the Band Structure<? format?> of Delafossite Transparent Conductive Oxides J Vidal, F Trani, F Bruneval, MAL Marques, S Botti
Physical Review Letters 104 (13), 136401, 2010
110 2010 Density functional study of oxygen vacancies at the F Trani, M Causà, D Ninno, G Cantele, V Barone
Physical Review B—Condensed Matter and Materials Physics 77 (24), 245410, 2008
93 2008 Band structures of delafossite transparent conductive oxides from a self-consistent F Trani, J Vidal, S Botti, MAL Marques
Physical Review B—Condensed Matter and Materials Physics 82 (8), 085115, 2010
85 2010 Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case M Biczysko, J Bloino, G Brancato, I Cacelli, C Cappelli, A Ferretti, A Lami, ...
Theoretical Chemistry Accounts 131, 1-19, 2012
78 2012 DFT Study on Anatase TiO2 Nanowires: Structure and Electronic Properties As Functions of Size, Surface Termination, and Morphology A Iacomino, G Cantele, F Trani, D Ninno
The Journal of Physical Chemistry C 114 (29), 12389-12400, 2010
57 2010 Direct role of surface oxygen vacancies in visible light emission of tin dioxide nanowires S Lettieri, M Causa, A Setaro, F Trani, V Barone, D Ninno, P Maddalena
The Journal of Chemical Physics 129 (24), 2008
46 2008 Role of surface oxygen vacancies in photoluminescence of tin dioxide nanobelts F Trani, M Causa, S Lettieri, A Setaro, D Ninno, V Barone, P Maddalena
Microelectronics journal 40 (2), 236-238, 2009
44 2009 Understanding doping in silicon nanostructures S Ossicini, F Iori, E Degoli, E Luppi, R Magri, R Poli, G Cantele, F Trani, ...
IEEE Journal of selected topics in quantum electronics 12 (6), 1585-1591, 2006
43 2006 Screening in semiconductor nanocrystals: Ab initio results and Thomas-Fermi theory F Trani, D Ninno, G Cantele, G Iadonisi, K Hameeuw, E Degoli, S Ossicini
Physical Review B—Condensed Matter and Materials Physics 73 (24), 245430, 2006
42 2006 Doping in silicon nanocrystals: an ab initio study of the structural, electronic and optical properties F Iori, E Degoli, E Luppi, R Magri, I Marri, G Cantele, D Ninno, F Trani, ...
Journal of Luminescence 121 (2), 335-339, 2006
39 2006 Design and validation of a two-tier questionnaire on basic aspects in quantum mechanics U Scotti di Uccio, A Colantonio, S Galano, I Marzoli, F Trani, I Testa
Physical Review Physics Education Research 15 (1), 010137, 2019
33 2019 Role of local fields in the optical properties of silicon nanocrystals using the tight binding approach F Trani, D Ninno, G Iadonisi
Physical Review B—Condensed Matter and Materials Physics 75 (3), 033312, 2007
33 2007 Influence of surface and subsurface defects on the behavior of the rutile TiO2 (110) surface K Hameeuw, G Cantele, D Ninno, F Trani, G Iadonisi
physica status solidi (a) 203 (9), 2219-2222, 2006
33 2006 Development and validation of a university students’ progression in learning quantum mechanics through exploratory factor analysis and Rasch analysis I Testa, G Capasso, A Colantonio, S Galano, I Marzoli, U Scotti di Uccio, ...
International Journal of Science Education 41 (3), 388-417, 2019
29 2019 