| General time dependent approach to vibronic spectroscopy including Franck–Condon, Herzberg–Teller, and Duschinsky effects A Baiardi, J Bloino, V Barone Journal of chemical theory and computation 9 (9), 4097-4115, 2013 | 327 | 2013 |
| Modern quantum chemistry with [Open] Molcas F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ... The Journal of chemical physics 152 (21), 2020 | 269 | 2020 |
| Aiming at an accurate prediction of vibrational and electronic spectra for medium‐to‐large molecules: an overview J Bloino, A Baiardi, M Biczysko International Journal of Quantum Chemistry 116 (21), 1543-1574, 2016 | 186 | 2016 |
| The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges A Baiardi, M Reiher The Journal of Chemical Physics 152 (4), 2020 | 170 | 2020 |
| Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments V Barone, A Baiardi, M Biczysko, J Bloino, C Cappelli, F Lipparini Physical Chemistry Chemical Physics 14 (36), 12404-12422, 2012 | 157 | 2012 |
| Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS‐Draw tool D Licari, A Baiardi, M Biczysko, F Egidi, C Latouche, V Barone Journal of computational chemistry 36 (5), 321-334, 2015 | 96 | 2015 |
| Large-scale quantum dynamics with matrix product states A Baiardi, M Reiher Journal of chemical theory and computation 15 (6), 3481-3498, 2019 | 75 | 2019 |
| General formulation of vibronic spectroscopy in internal coordinates A Baiardi, J Bloino, V Barone The Journal of chemical physics 144 (8), 2016 | 69 | 2016 |
| Accurate simulation of resonance-Raman spectra of flexible molecules: An internal coordinates approach A Baiardi, J Bloino, V Barone Journal of Chemical Theory and Computation 11 (7), 3267-3280, 2015 | 62 | 2015 |
| Hardware efficient quantum algorithms for vibrational structure calculations PJ Ollitrault, A Baiardi, M Reiher, I Tavernelli Chemical science 11 (26), 6842-6855, 2020 | 61 | 2020 |
| A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects A Baiardi, J Bloino, V Barone The Journal of chemical physics 141 (11), 2014 | 59 | 2014 |
| Vibrational density matrix renormalization group A Baiardi, CJ Stein, V Barone, M Reiher Journal of Chemical Theory and Computation 13 (8), 3764-3777, 2017 | 55 | 2017 |
| Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations MH Palmer, T Ridley, SV Hoffmann, NC Jones, M Coreno, M De Simone, ... The Journal of chemical physics 142 (13), 2015 | 54 | 2015 |
| Simulation of vibronic spectra of flexible systems: hybrid DVR-harmonic approaches A Baiardi, J Bloino, V Barone Journal of chemical theory and computation 13 (6), 2804-2822, 2017 | 40 | 2017 |
| New developments of a multifrequency virtual spectrometer: stereo‐electronic, dynamical, and environmental effects on chiroptical spectra V Barone, A Baiardi, J Bloino Chirality 26 (9), 588-600, 2014 | 34 | 2014 |
| Temperature dependence of radiative and nonradiative rates from time-dependent correlation function methods S Banerjee, A Baiardi, J Bloino, V Barone Journal of Chemical Theory and Computation 12 (2), 774-786, 2016 | 33 | 2016 |
| Optimization of highly excited matrix product states with an application to vibrational spectroscopy A Baiardi, CJ Stein, V Barone, M Reiher The Journal of Chemical Physics 150 (9), 2019 | 32 | 2019 |
| Effective inclusion of mechanical and electrical anharmonicity in excited electronic states: VPT2-TDDFT route F Egidi, DB Williams-Young, A Baiardi, J Bloino, G Scalmani, MJ Frisch, ... Journal of chemical theory and computation 13 (6), 2789-2803, 2017 | 26 | 2017 |
| Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene MH Palmer, T Ridley, S Vrønning Hoffmann, NC Jones, M Coreno, ... The Journal of chemical physics 144 (12), 2016 | 23 | 2016 |
| Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2, 6-difluoropyridine: A combined experimental and theoretical assessment A Baiardi, M Mendolicchio, V Barone, G Fronzoni, GA Cardenas Jimenez, ... The Journal of Chemical Physics 143 (20), 2015 | 23 | 2015 |
Vincenzo BaroneProfessore di Chimica Teorica e Computazionale Scuola Normale SuperioreVerified email at sns.it
