Excited state gradients for a state-specific continuum solvation approach: The vertical excitation model within a Lagrangian TDDFT formulation
Guido, Ciro Achille, Scalmani, Giovanni, Mennucci, Benedetta, Jacquemin, Denis
Published in The Journal of chemical physics (28.05.2017)
Published in The Journal of chemical physics (28.05.2017)
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A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
Improta, Roberto, Barone, Vincenzo, Scalmani, Giovanni, Frisch, Michael J
Published in The Journal of chemical physics (07.08.2006)
Published in The Journal of chemical physics (07.08.2006)
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Journal Article
Can short-range hybrids describe long-range-dependent properties?
Henderson, Thomas M, Izmaylov, Artur F, Scalmani, Giovanni, Scuseria, Gustavo E
Published in The Journal of chemical physics (28.07.2009)
Published in The Journal of chemical physics (28.07.2009)
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Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
Improta, Roberto, Scalmani, Giovanni, Frisch, Michael J, Barone, Vincenzo
Published in The Journal of chemical physics (21.08.2007)
Published in The Journal of chemical physics (21.08.2007)
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Charge transfer excitations in TDDFT: A ghost‐hunter index
Campetella, Marco, Maschietto, Federica, Frisch, Mike J., Scalmani, Giovanni, Ciofini, Ilaria, Adamo, Carlo
Published in Journal of computational chemistry (30.09.2017)
Published in Journal of computational chemistry (30.09.2017)
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How far do electrons delocalize?
Janesko, Benjamin G, Scalmani, Giovanni, Frisch, Michael J
Published in The Journal of chemical physics (14.10.2014)
Published in The Journal of chemical physics (14.10.2014)
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Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model
Scalmani, Giovanni, Frisch, Michael J, Mennucci, Benedetta, Tomasi, Jacopo, Cammi, Roberto, Barone, Vincenzo
Published in The Journal of chemical physics (07.03.2006)
Published in The Journal of chemical physics (07.03.2006)
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A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells
Le Bahers, Tangui, Pauporté, Thierry, Scalmani, Giovanni, Adamo, Carlo, Ciofini, Ilaria
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
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Practical auxiliary basis implementation of Rung 3.5 functionals
Janesko, Benjamin G, Scalmani, Giovanni, Frisch, Michael J
Published in The Journal of chemical physics (21.07.2014)
Published in The Journal of chemical physics (21.07.2014)
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Assessment of the efficiency of long-range corrected functionals for some properties of large compounds
Jacquemin, Denis, Perpète, Eric A, Scalmani, Giovanni, Frisch, Michael J, Kobayashi, Rika, Adamo, Carlo
Published in The Journal of chemical physics (14.04.2007)
Published in The Journal of chemical physics (14.04.2007)
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A variational formulation of the polarizable continuum model
Lipparini, Filippo, Scalmani, Giovanni, Mennucci, Benedetta, Cancès, Eric, Caricato, Marco, Frisch, Michael J
Published in The Journal of chemical physics (07.07.2010)
Published in The Journal of chemical physics (07.07.2010)
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Journal Article
Practical computation of electronic excitation in solution: vertical excitation model
Marenich, Aleksandr V., Cramer, Christopher J., Truhlar, Donald G., Guido, Ciro A., Mennucci, Benedetta, Scalmani, Giovanni, Frisch, Michael J.
Published in Chemical science (Cambridge) (01.01.2011)
Published in Chemical science (Cambridge) (01.01.2011)
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Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory
Caricato, Marco, Mennucci, Benedetta, Tomasi, Jacopo, Ingrosso, Francesca, Cammi, Roberto, Corni, Stefano, Scalmani, Giovanni
Published in The Journal of chemical physics (28.03.2006)
Published in The Journal of chemical physics (28.03.2006)
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Comparative Study of Nonhybrid Density Functional Approximations for the Prediction of 3d Transition Metal Thermochemistry
Determan, John J, Poole, Katelyn, Scalmani, Giovanni, Frisch, Michael J, Janesko, Benjamin G, Wilson, Angela K
Published in Journal of chemical theory and computation (10.10.2017)
Published in Journal of chemical theory and computation (10.10.2017)
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