Former Postdoctoral Fellow
Office: MS&E 4202
Phone: (404) 385-8182
My research mainly focuses on density functional theory (DFT) and it's time-dependent extension (TDDFT). Here, my interest are twofold: Coming from a "fundamental DFT" background, I am interested in the development and improvement of novel DFT/TDDFT methodologies and functionals. Working as a postdoctoral fellow in the Brédas group, my recent projects put emphasis on the application of novel DFT/TDDFT methods and functionals to challenging materials to be used in organic photovoltaics and organic LEDs. My current research projects include:
- Symmetry breaking and charge (de)localization in organic mixed valence systems.
- Linear and nonlinear optical response of novel chromophores for all-optical switching.
- Application of self-interaction corrections and range-separated hybrid functionals to organic pi-conjugated systems.
- The combination of DFT and (angular-resolved) photoelectron spectroscopy.
- Electrical Response of Molecular Systems: The Power of Self-Interaction Corrected Kohn-Sham Theory,
T. Körzdörfer, M. Mundt, and S. Kümmel, Phys. Rev. Lett. 100, 133004 (2008).
- Self-interaction correction and the optimized effective potential,
T. Körzdörfer, M. Mundt, and S. Kümmel, J. Chem. Phys. 129, 014110 (2008).
- When to trust photoelectron spectra from Kohn-Sham eigenvalues: The case of organic semiconductors,
T. Körzdörfer and S. Kümmel, Phys. Rev. B 79, 201205(R) (2009).
- Single-particle and quasiparticle interpretation of Kohn-Sham and generalized Kohn-Sham eigenvalues for hybrid functionals,
T. Körzdörfer and S. Kümmel, Phys. Rev. B 82, 155206 (2010).