| Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory M Caricato, B Mennucci, J Tomasi, F Ingrosso, R Cammi, S Corni, ... The Journal of chemical physics 124 (12), 2006 | 579 | 2006 |
| Electronic transition energies: A study of the performance of a large range of single reference density functional and wave function methods on valence and Rydberg states … M Caricato, GW Trucks, MJ Frisch, KB Wiberg Journal of Chemical Theory and Computation 6 (2), 370-383, 2010 | 232 | 2010 |
| A variational formulation of the polarizable continuum model F Lipparini, G Scalmani, B Mennucci, E Cancès, M Caricato, MJ Frisch The Journal of chemical physics 133 (1), 2010 | 165 | 2010 |
| Oscillator strength: How does TDDFT compare to EOM-CCSD? M Caricato, GW Trucks, MJ Frisch, KB Wiberg Journal of Chemical Theory and Computation 7 (2), 456-466, 2011 | 148 | 2011 |
| Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy B Peng, PJ Lestrange, JJ Goings, M Caricato, X Li Journal of chemical theory and computation 11 (9), 4146-4153, 2015 | 118 | 2015 |
| Absorption and emission spectra of solvated molecules with the EOM–CCSD–PCM method M Caricato Journal of chemical theory and computation 8 (11), 4494-4502, 2012 | 90 | 2012 |
| A time-dependent polarizable continuum model: Theory and application M Caricato, F Ingrosso, B Mennucci, J Tomasi The Journal of chemical physics 122 (15), 2005 | 82 | 2005 |
| TD-CI simulation of the electronic optical response of molecules in intense fields: comparison of RPA, CIS, CIS (D), and EOM-CCSD JA Sonk, M Caricato, HB Schlegel The Journal of Physical Chemistry A 115 (18), 4678-4690, 2011 | 80 | 2011 |
| How the environment controls absorption and fluorescence spectra of PRODAN: A quantum-mechanical study in homogeneous and heterogeneous media B Mennucci, M Caricato, F Ingrosso, C Cappelli, R Cammi, J Tomasi, ... The Journal of Physical Chemistry B 112 (2), 414-423, 2008 | 79 | 2008 |
| A comparison between state-specific and linear-response formalisms for the calculation of vertical electronic transition energy in solution with the CCSD-PCM method M Caricato The Journal of Chemical Physics 139 (4), 2013 | 71 | 2013 |
| Exploring potential energy surfaces of electronic excited states in solution with the EOM-CCSD-PCM method M Caricato Journal of chemical theory and computation 8 (12), 5081-5091, 2012 | 66 | 2012 |
| Large solvation effect in the optical rotatory dispersion of norbornenone P Lahiri, KB Wiberg, PH Vaccaro, M Caricato, TD Crawford Angewandte Chemie 126 (5), 1410-1413, 2014 | 64 | 2014 |
| Solvent effects on the electronic spectra: An extension of the polarizable continuum model to the zindo method M Caricato, B Mennucci, J Tomasi The Journal of Physical Chemistry A 108 (29), 6248-6256, 2004 | 62 | 2004 |
| Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations JJ Goings, M Caricato, MJ Frisch, X Li The Journal of chemical physics 141 (16), 2014 | 53 | 2014 |
| Vertical electronic excitations in solution with the EOM-CCSD method combined with a polarizable explicit/implicit solvent model M Caricato, F Lipparini, G Scalmani, C Cappelli, V Barone Journal of chemical theory and computation 9 (7), 3035-3042, 2013 | 53 | 2013 |
| Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach M Caricato, B Mennucci, G Scalmani, GW Trucks, MJ Frisch The Journal of chemical physics 132 (8), 2010 | 51 | 2010 |
| Triggering Emission with the Helical Turn in Thiadiazole‐Helicenes T Biet, K Martin, J Hankache, N Hellou, A Hauser, T Bürgi, N Vanthuyne, ... Chemistry–A European Journal 23 (2), 437-446, 2017 | 49 | 2017 |
| CCSD-PCM: Improving upon the reference reaction field approximation at no cost M Caricato The Journal of chemical physics 135 (7), 2011 | 47 | 2011 |
| Solvent polarity scales revisited: a ZINDO-PCM study of the solvatochromism of betaine-30 M Caricato, B Mennucci, J Tomasi Molecular Physics 104 (5-7), 875-887, 2006 | 47 | 2006 |
| Coupled cluster calculations in solution with the polarizable continuum model of solvation M Caricato, G Scalmani, GW Trucks, MJ Frisch The Journal of Physical Chemistry Letters 1 (15), 2369-2373, 2010 | 46 | 2010 |
