Publications of the König Group

Showing results 21 - 30 out of 32


Klinting, E. L., König, C., & Christiansen, O. (2015). Hybrid Optimized and Localized Vibrational Coordinates. Journal of Physical Chemistry A, 119(44), 11007-11021.
König, C., & Christiansen, O. (2015). Automatic determination of important mode-mode correlations in many-mode vibrational wave functions. Journal of Chemical Physics, 142(14), Article 144115.


Barton, D., König, C., & Neugebauer, J. (2014). Vibronic-structure tracking: A shortcut for vibrationally resolved UV/Vis-spectra calculations. Journal of Chemical Physics, 141(16), Article 164115.
Daday, C., König, C., Neugebauer, J., & Filippi, C. (2014). Wavefunction-in-Density Functional Theory Embedding for Excited States: Which Wavefunctions, which Densities? CHEMPHYSCHEM, 15(18), 3892.,


Daday, C., König, C., Valsson, O., Neugebauer, J., & Filippi, C. (2013). State-specific embedding potentials for excitation-energy calculations. Journal of Chemical Theory and Computation.
König, C., Schlüter, N., & Neugebauer, J. (2013). Direct determination of exciton couplings from subsystem time-dependent density-functional theory within the Tamm-Dancoff approximation. Journal of Chemical Physics.
König, C., & Neugebauer, J. (2013). Exciton coupling mechanisms analyzed with subsystem TDDFT: Direct vs pseudo exchange effects. Journal of Physical Chemistry B.
König, C., & Neugebauer, J. (2013). Protein effects on the optical spectrum of the Fenna-Matthews-Olson complex from fully quantum chemical calculations. Journal of Chemical Theory and Computation.


König, C., & Neugebauer, J. (2012). Quantum chemical description of absorption properties and excited-state processes in photosynthetic systems. CHEMPHYSCHEM.


König, C., & Neugebauer, J. (2011). First-principles calculation of electronic spectra of light-harvesting complex II. Physical Chemistry Chemical Physics.