Thomas Körzdörfer

Organic Electronic Materials: Recent Advances in the DFT Description of the Ground and Excited States Using Tuned Range-Separated Hybrid Functionals

Thomas Körzdörfer, Jean‐Luc Brédas · Accounts of Chemical Research · 2014 · 397 citations

Long-range corrected hybrid functionals for π-conjugated systems: Dependence of the range-separation parameter on conjugation length

Thomas Körzdörfer, John S. Sears, Christopher Sutton et al. · The Journal of Chemical Physics · 2011 · 266 citations · Full text

Engineering, Computational Chemistry, Chemistry +18

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of <i>GW</i> Methods

Joseph W. Knight, Xiaopeng Wang, Lukas Gallandi et al. · Journal of Chemical Theory and Computation · 2016 · 200 citations

Engineering, Computational Chemistry, Accurate Ionization Potentials +17

Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach

Haitao Sun, Sean M. Ryno, Cheng Zhong et al. · Journal of Chemical Theory and Computation · 2016 · 140 citations

Engineering, Computational Chemistry, Chemistry +17

When to trust photoelectron spectra from Kohn-Sham eigenvalues: The case of organic semiconductors

Thomas Körzdörfer, Stephan Kümmel, Noa Marom et al. · Physical Review B · 2009 · 112 citations

Engineering, Organic Electronics, Computational Chemistry +25