On the importance of excited state dynamic response electron correlation in polarizable embedding methods

Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

(2012) Trygve Helgaker et al.   CHEMICAL REVIEWS

The polarizable embedding coupled cluster method

(2011) Kristian Sneskov et al.   JOURNAL OF CHEMICAL PHYSICS

Solvation Effects on Electronic Transitions: Exploring the Performance of Advanced Solvent Potentials in Polarizable Embedding Calculations

(2011) Tobias Schwabe et al.   Journal of Chemical Theory and Computation

Computational protocols for prediction of solute NMR relative chemical shifts. A case study of L-tryptophan in aqueous solution

(2011) Janus J. Eriksen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Solvent-Induced Shift of the Lowest Singlet π → π* Charge-Transfer Excited State ofp-Nitroaniline in Water: An Application of the TDDFT/EFP1 Method

(2011) Sarom Sok et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk

(2011) Debashree Ghosh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Modeling Solvent Effects on Electronic Excited States

(2011) Albert DeFusco et al.   Journal of Physical Chemistry Letters

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

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

Excited States in Solution through Polarizable Embedding

(2010) Jógvan Magnus Olsen et al.   Journal of Chemical Theory and Computation

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

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

Solvent Effects on the Electronic Transitions ofp-Nitroaniline: A QM/EFP Study

(2010) Dmytro Kosenkov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein

(2010) Tomás Rocha-Rinza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Solvatochromic Shifts in Uracil: A Combined MD-QM/MM Study

(2009) Jógvan Magnus Olsen et al.   Journal of Chemical Theory and Computation

Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons†

(2009) Heidi H. Falden et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding

(2008) Jacob Kongsted et al.   Journal of Chemical Theory and Computation