Quantum ESPRESSO toward the exascale P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ...
The Journal of chemical physics 152 (15), 2020
1054 2020 Crystal Structure and Theoretical Analysis of Green Gold Au30 (S-t Bu)18 Nanomolecules and Their Relation to Au30 S(S-t Bu)18 A Dass, T Jones, M Rambukwella, D Crasto, KJ Gagnon, L Sementa, ...
The Journal of Physical Chemistry C 120 (11), 6256-6261, 2016
77 2016 Photoabsorption of icosahedral noble metal clusters: An efficient TDDFT approach to large-scale systems O Baseggio, M De Vetta, G Fronzoni, M Stener, L Sementa, A Fortunelli, ...
The Journal of Physical Chemistry C 120 (23), 12773-12782, 2016
69 2016 A new time dependent density functional algorithm for large systems and plasmons in metal clusters O Baseggio, G Fronzoni, M Stener
The Journal of Chemical Physics 143 (2), 2015
58 2015 Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene G Fronzoni, O Baseggio, M Stener, W Hua, G Tian, Y Luo, B Apicella, ...
The Journal of Chemical Physics 141 (4), 2014
56 2014 Au38 (SPh)24 : Au38 Protected with Aromatic Thiolate Ligands M Rambukwella, S Burrage, M Neubrander, O Baseggio, E Apra, ...
The Journal of Physical Chemistry Letters 8 (7), 1530-1537, 2017
34 2017 A new time‐dependent density‐functional method for molecular plasmonics: Formalism, implementation, and the Au144 (SH)60 case study O Baseggio, M De Vetta, G Fronzoni, M Stener, A Fortunelli
International Journal of Quantum Chemistry 116 (21), 1603-1611, 2016
25 2016 Ligand-Enhanced Optical Response of Gold Nanomolecules and Its Fragment Projection Analysis: The Case of Au30 (SR)18 L Sementa, G Barcaro, O Baseggio, M De Vetta, A Dass, E Aprà, M Stener, ...
The Journal of Physical Chemistry C 121 (20), 10832-10842, 2017
24 2017 Study of the electronic structure of short chain oligothiophenes C Grazioli, O Baseggio, M Stener, G Fronzoni, M de Simone, M Coreno, ...
The Journal of Chemical Physics 146 (5), 2017
16 2017 Extension of the time-dependent density functional complex polarizability algorithm to circular dichroism: Implementation and applications to Ag8 and Au38 (SC2H4C6H5) 24 O Baseggio, D Toffoli, G Fronzoni, M Stener, L Sementa
The Journal of Physical Chemistry C 120 (42), 24335-24345, 2016
16 2016 Quantum ESPRESSO : One Further Step toward the ExascaleI Carnimeo, F Affinito, S Baroni, O Baseggio, L Bellentani, R Bertossa, ...
Journal of Chemical Theory and Computation 19 (20), 6992-7006, 2023
15 2023 Individual component map of rotatory strength and rotatory strength density plots as analysis tools of circular dichroism spectra of complex systems L Chang, O Baseggio, L Sementa, D Cheng, G Fronzoni, D Toffoli, E Aprà, ...
Journal of Chemical Theory and Computation 14 (7), 3703-3714, 2018
15 2018 S2p core level spectroscopy of short chain oligothiophenes O Baseggio, D Toffoli, M Stener, G Fronzoni, M de Simone, C Grazioli, ...
The Journal of Chemical Physics 147 (24), 2017
13 2017 Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of P Delugas, O Baseggio, I Timrov, S Baroni, T Gorni
Physical Review B 107 (21), 214452, 2023
11 2023 Electron energy loss spectroscopy of bulk gold with ultrasoft pseudopotentials and the Liouville-Lanczos method O Motornyi, N Vast, I Timrov, O Baseggio, S Baroni, A Dal Corso
Physical Review B 102 (3), 035156, 2020
11 2020 Time‐dependent density‐functional study of the photoabsorption spectrum of Au25 (SC2 H4 C6 H5 )18 anion: Validation of the computational protocol O Baseggio, M De Vetta, G Fronzoni, D Toffoli, M Stener, L Sementa, ...
International Journal of Quantum Chemistry 118 (22), e25769, 2018
11 2018 turboMagnon–A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory T Gorni, O Baseggio, P Delugas, S Baroni, I Timrov
Computer Physics Communications 280, 108500, 2022
10 2022 First-principles study of the gap in the spin excitation spectrum of the T Gorni, O Baseggio, P Delugas, I Timrov, S Baroni
Physical Review B 107 (22), L220410, 2023
7 2023 Pd doping, conformational, and charge effects on the dichroic response of a monolayer protected Au 38 (SR) 24 nanocluster D Toffoli, O Baseggio, G Fronzoni, M Stener, A Fortunelli, L Sementa
Physical Chemistry Chemical Physics 21 (7), 3585-3596, 2019
6 2019 , M. Stener and A. Fortunelli L Sementa, G Barcaro, O Baseggio, M De Vetta, A Dass, E Apra
J. Phys. Chem. C 121, 10832-10842, 2017
6 2017 