Author of the publication

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

A Model Hamiltonian Tuned Toward High Level Ab Initio Calculations to Describe the Character of Excitonic States in Perylenebisimide Aggregates

W. Liu, S. Canola, A. Köhn, B. Engels, F. Negri, and R. Fink. Journal of Computational Chemistry, 39 (24): 1979-1989 (2018)
DOI: 10.1002/jcc.25374

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Alexander Fink University of Stuttgart

Jakob Finkbeiner University of Stuttgart

Daniel Fink University of Stuttgart

Dr. -Ing. Reinhold Bertrand University of Stuttgart

Prof. Dr. Reinhold Ewald University of Stuttgart

Other publications of authors with the same name

Comparison of the electronic structure of different perylene-based dye-aggregates.V. Settels, W. Liu, J. Pflaum, R. Fink, and B. Engels. Journal of Computational Chemistry, 33 (18): 1544-1553 (2012)Isomerization and fragmentation pathways of 1, 2-azaborine.K. Edel, R. Fink, and H. Bettinger. Journal of Computational Chemistry, 37 (1): 110-116 (2016)A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systemsW. Liu, B. Lunkenheimer, V. Settels, B. Engels, R. Fink, and A. Köhn. J. Chem. Phys., 143 (8): 84106 (2015)A model Hamiltonian tuned toward high level ab initiocalculations to describe the character of excitonic states in perylenebisimide aggregatesW. Liu, S. Canola, A. Köhn, B. Engels, F. Negri, and R. Fink. J. Comput. Chem., 39 (24): 1979-1989 (October 2018)A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systemsW. Liu, B. Lunkenheimer, V. Settels, B. Engels, R. Fink, and A. Koehn. Journal of chemical physics, 143 (8): 084106 (2015)Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materials.D. Bellinger, V. Settels, W. Liu, R. Fink, and B. Engels. Journal of Computational Chemistry, 37 (17): 1601-1610 (2016)Charge carrier mobilities in organic semiconductor crystals based on the spectral overlap.V. Stehr, R. Fink, C. Deibel, and B. Engels. Journal of Computational Chemistry, 37 (23): 2146-2156 (2016)Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates.W. Liu, V. Settels, P. Harbach, A. Dreuw, R. Fink, and B. Engels. Journal of Computational Chemistry, 32 (9): 1971-1981 (2011)Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110).J. Banerjee, S. Behnle, M. Galbraith, V. Settels, B. Engels, R. Tonner, and R. Fink. Journal of Computational Chemistry, 39 (14): 844-852 (2018)A Model Hamiltonian Tuned Toward High Level Ab Initio Calculations to Describe the Character of Excitonic States in Perylenebisimide AggregatesW. Liu, S. Canola, A. Köhn, B. Engels, F. Negri, and R. Fink. Journal of Computational Chemistry, 39 (24): 1979-1989 (2018)