Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles

Article Chemistry, Physical

Charge-Transfer Excitations and Time-Dependent Density Functional Theory: Problems and Some Proposed Solutions

Jochen Autschbach

CHEMPHYSCHEM (2009)

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Article Chemistry, Physical

Intramolecular Charge-Transfer Excitation Energies from Range-Separated Hybrid Functionals Using the Yukawa Potential

Yoshinobu Akinaga et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)

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Article Chemistry, Physical

A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states

Mary A. Rohrdanz et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

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Article Chemistry, Physical

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

Jan Andzelm et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

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Article Chemistry, Physical

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

Evgeny Epifanovsky et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

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Article Chemistry, Physical

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

Tom Ziegler et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)

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Article Chemistry, Physical

Excitation Energies of Zinc Porphyrin in Aqueous Solution Using Long-Range Corrected Time-Dependent Density Functional Theory

Niranjan Govind et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

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Article Chemistry, Multidisciplinary

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

Tamar Stein et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

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Article Chemistry, Physical

Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory

Bryan M. Wong et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

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Article Chemistry, Physical

Time-dependent density functional theory for resonant properties: resonance enhanced Raman scattering from the complex electric-dipole polarizability

Abdelsalam Mohammed et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

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Article Chemistry, Physical

TDDFT diagnostic testing and functional assessment for triazene chromophores

Michael J. G. Peach et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

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Review Chemistry, Multidisciplinary

Density functionals with broad applicability in chemistry

Yan Zhao et al.

ACCOUNTS OF CHEMICAL RESEARCH (2008)

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Article Chemistry, Physical