Marco Caricato
Email: marco@gaussian.com Post-Doc, Yale University and Gaussian Contributions to Gaussian: Coupled cluster methods for ground and excited states. Development and application of Polarizable Continuum Model (PCM) of solvation for post-SCF methods. Research Interests
Selected PublicationsCaricato, M., "CCSD-PCM: Improving upon the reference reaction field approximation at no cost" J. Chem. Phys. 135 (2011) 074113 Caricato, M., Scalmani, G., Frisch, M. J., "Brueckner doubles coupled cluster method with the polarizable continuum model of solvation" J. Chem. Phys. 134 (2011) 244113 Sonk, J. A., Caricato, M., Schlegel, H. B., "TD-CI Simulation of the Electronic Optical Response of Molecules in Intense Fields: Comparison of RPA, CIS, CIS(D), and EOM-CCSD" J Phys. Chem. A 115 (2011) 4678 Caricato, M., Trucks, G. W., Frisch, M. J., "Projected Coupled Cluster Amplitudes from a Different Basis Set as Initial Guess" J. Chem. Theory Comput. 7 (2011) 909 Caricato, M., Trucks, G. W., Frisch, M.J., Wiberg, K. B., "Oscillator Strength: How does TDDFT compare to EOM-CCSD?" J. Chem. Theor. Comput. 7 (2011) 456 Caricato, M., Vreven, T., Trucks, G. W., Frisch, M. J., "Oscillator Strengths in ONIOM Excited State Calculations", J. Chem. Theor. Comput. 7 (2011) 180 Caricato, M., Scalmani, G., Trucks, G. W., Frisch, M. J., "Coupled Cluster Calculations in Solution with the Polarizable Continuum Model of Solvation", J. Phys. Chem. Lett. 15 (2010) 2369 Caricato, M., Trucks, G. W., Frisch, M. J., "A Comparison of Three Variants of the Generalized Davidson Algorithm for the Partial Diagonalization of Large Non-Hermitian Matrices" J. Chem. Theor. Comput. 6 (2010) 1966 Caricato, M., Mennucci, B., Scalmani, G., Trucks, G. W., Frisch, M. J., "Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach", J. Chem. Phys. 132 (2010) 084102 Caricato, M., Vreven, T., Trucks, G. W., Frisch, M. J., "Link atom bond length effect in ONIOM excited state calculations" J. Chem. Phys. 133 (2010) 054104 Lipparini, F., Scalmani, G., Mennucci, B., Cancès, E., Caricato, M., Frisch, M. J., "A variational formulation of the polarizable continuum model" J. Chem. Phys. 133 (2010) 014106 Caricato, M., Trucks, G. W., Frisch, M. J., Wiberg, K. B., "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 Compared to Experiment", J. Chem. Theory & Comput. 6 (2010) 370 Caricato, M., Vreven, T., Trucks, G. W., Frisch, M. J., Wiberg, K. B., "Using the ONIOM hybrid method to apply equation of motion CCSD to larger systems: Benchmarking and comparision with time-dependent density functional theory, configuration interaction singles, and time-dependent Hartree Fock", J. Chem. Phys. 131 (2009) 134105 Caricato, M., Trucks, G. W., Frisch, M. J., "On the difference between the transition properties calculated with linear response- and equation of motion-CCSD approaches", J. Chem. Phys. 131 (2009) 174104 Mennucci, B., Caricato, M., Ingrosso, F., Cappelli, C., Cammi, R., Tomasi, J., Scalmani, G., Frisch, M. J., "How the Environment Controls Absorption and Fluorescence Spectra of PRODAN: A Quantum-Mechanical Study in Homogeneous and Heterogeneous Media", J. Phys. Chem. B 112 (2008) 414 Caricato, M., Ingrosso, F., Mennucci, B., Sato, H., "Electron Transfer in a Radical Ion Pair: Quantum Calculations of the Solvent Reorganization Energy", J. Phys. Chem. B 110 (2006) 25115 Caricato, M., Andreussi, O., "Semiempirical (ZINDO-PCM) Approach to Predict the Radiative and Nonradiative Decay Rates of a Molecule Close to Metal Particles", J. Phys. Chem. B 110 (2006) 16652 Caricato, M., Mennucci, B., Tomasi, J., "Solvent polarity scales revisited: a ZINDO-PCM study of the solvatochromism of betaine-30", Mol. Phys. 104 (2006) 875 Caricato, M., Mennucci, B., Ingrosso, F., Cammi, R., Corni, S., Scalmani, G., Tomasi, J., "Formation and relaxation of excited state in solution: a new time dependent Polarizable Continuum Model based on time-dependent density functional theory", J. Chem. Phys. 124 (2006) 124520 Caricato, M., Ingrosso, F., Mennucci, B., Tomasi, J., "Time dependent Polarizable Continuum Model: theory and application", J. Chem. Phys. 122 (2005) 154501 Caricato, M., Mennucci, B., Tomasi, J., "Solvent effect on the electronic spectra: an extension of the Polarizable Continuum Model to the ZINDO method", J. Phys. Chem. A 108 (2004) 6248
Last update: 30 September 2011 |
