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

Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach

(2010) Marco Caricato et al.   JOURNAL OF CHEMICAL PHYSICS

Approximate Inclusion of Triple Excitations in Combined Coupled Cluster/Molecular Mechanics: Calculations of Electronic Excitation Energies in Solution for Acrolein, Water, Formamide, andN-Methylacetamide

(2010) Kristian Sneskov et al.   Journal of Chemical Theory and Computation

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives

(2009) R. Cammi   JOURNAL OF CHEMICAL PHYSICS

On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution

(2008) Kestutis Aidas et al.   JOURNAL OF CHEMICAL PHYSICS

Formulation and implementation of direct algorithm for the symmetry-adapted cluster and symmetry-adapted cluster–configuration interaction method

(2008) Ryoichi Fukuda et al.   JOURNAL OF CHEMICAL PHYSICS