Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

Simulations of fluorescence solvatochromism in substituted PPV oligomers from excited state molecular dynamics with implicit solvent

(2015) J.A. Bjorgaard et al.   CHEMICAL PHYSICS LETTERS

Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations

(2015) J. A. Bjorgaard et al.   JOURNAL OF CHEMICAL PHYSICS

Excited-State Vibrations of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum Model

(2015) Benedetta Mennucci et al.   Journal of Chemical Theory and Computation

Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials

(2014) Tammie Nelson et al.   ACCOUNTS OF CHEMICAL RESEARCH

Excited-State Geometries of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum Model

(2014) Siwar Chibani et al.   Journal of Chemical Theory and Computation

A comparison between state-specific and linear-response formalisms for the calculation of vertical electronic transition energy in solution with the CCSD-PCM method

(2013) Marco Caricato   JOURNAL OF CHEMICAL PHYSICS

Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum Models

(2013) Shaohui Zheng et al.   Journal of Chemical Theory and Computation

Coupled-cluster theory for the polarizable continuum model. III. A response theory for molecules in solution

(2012) R. Cammi   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Absorption and Emission Spectra of Solvated Molecules with the EOM–CCSD–PCM Method

(2012) Marco Caricato   Journal of Chemical Theory and Computation

Exploring Potential Energy Surfaces of Electronic Excited States in Solution with the EOM-CCSD-PCM Method

(2012) Marco Caricato   Journal of Chemical Theory and Computation

Ab Initio Study of the Emissive Charge-Transfer States of Solvated Chromophore-Functionalized Silsesquioxanes

(2012) Shaohui Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polarizable continuum model

(2012) Benedetta Mennucci   Wiley Interdisciplinary Reviews-Computational Molecular Science

Scrutinizing the effects of polarization in QM/MM excited state calculations

(2011) Kristian Sneskov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Practical computation of electronic excitation in solution: vertical excitation model

(2011) Aleksandr V. Marenich et al.   Chemical Science

Derivative studies in hartree-fock and møller-plesset theories

(2010) J. A. Pople et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Coupled-cluster theories for the polarizable continuum model. II. Analytical gradients for excited states of molecular solutes by the equation of motion coupled-cluster method

(2010) R. Cammi   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: Theory of the solvent effect on the electronic excitation of molecules in solution

(2010) Roberto Cammi et al.   JOURNAL OF CHEMICAL PHYSICS

Solvation of the Excited States of Chromophores in Polarizable Environment: Orbital Relaxation versus Polarization†

(2010) Lyudmila V. Slipchenko   JOURNAL OF PHYSICAL CHEMISTRY A

Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories

(2009) Sergei Tretiak et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model

(2009) Carles Curutchet et al.   Journal of Chemical Theory and Computation