Performance of popular XC-functionals for the description of excitation energies in GFP-like chromophore models

Modeling of the structure and electronic spectra of green fluorescent protein chromophore

(2011) K. B. Bravaya et al.   Russian Journal of Physical Chemistry B

Tuned Range-Separated Hybrids in Density Functional Theory

(2010) Roi Baer et al.   Annual Review of Physical Chemistry

Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer

(2010) Karol Kowalski et al.   JOURNAL OF CHEMICAL PHYSICS

Potential Energy Landscape of the Electronic States of the GFP Chromophore in Different Protonation Forms: Electronic Transition Energies and Conical Intersections

(2010) I. V. Polyakov et al.   Journal of Chemical Theory and Computation

Absorption Spectrum of the Green Fluorescent Protein Chromophore: A Difficult Case for ab Initio Methods?

(2009) Claudia Filippi et al.   Journal of Chemical Theory and Computation

Performance of DFT Methods in the Calculation of Optical Spectra of TCF-Chromophores

(2009) Jan Andzelm et al.   Journal of Chemical Theory and Computation

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase

(2009) Evgeny Epifanovsky et al.   Journal of Chemical Theory and Computation

Is charge transfer transitions really too difficult for standard density functionals or are they just a problem for time-dependent density functional theory based on a linear response approach

(2009) Tom Ziegler et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Gas Phase Absorption Studies of Photoactive Yellow Protein Chromophore Derivatives

(2009) Tomás Rocha-Rinza et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory

(2009) Tamar Stein et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photoabsorption studies of neutral green fluorescent protein model chromophores in vacuo

(2009) J. Rajput et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

TDDFT diagnostic testing and functional assessment for triazene chromophores

(2009) Michael J. G. Peach et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The challenge of predicting optical properties of biomolecules: What can we learn from time-dependent density-functional theory?

(2008) Alberto Castro et al.   COMPTES RENDUS PHYSIQUE

Coumarin dyes for dye-sensitized solar cells: A long-range-corrected density functional study

(2008) Bryan M. Wong et al.   JOURNAL OF CHEMICAL PHYSICS

Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory

(2008) Mary A. Rohrdanz et al.   JOURNAL OF CHEMICAL PHYSICS

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

(2008) Marko Schreiber et al.   JOURNAL OF CHEMICAL PHYSICS

A Density Functional Theory for Symmetric Radical Cations from Bonding to Dissociation†

(2008) Ester Livshits et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE