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ORCIDAndreas Dreuw
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Journal Articles
- 2021
[j8]Marvin Hoffmann
, Andreas Dreuw:
Deciphering excited state properties utilizing algebraic diagrammatic construction schemes of decreasing order. J. Comput. Chem. 42(11): 793-800 (2021)- [j7]Nils Schieschke, Beatrix M. Bold, Philipp M. Dohmen, Daniel Wehl, Marvin Hoffmann, Andreas Dreuw, Marcus Elstner, Sebastian Höfener:
Geometry dependence of excitonic couplings and the consequences for configuration-space sampling. J. Comput. Chem. 42(20): 1402-1418 (2021) - 2017
- [j6]Chong Yang, Andreas Dreuw:
Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations. J. Comput. Chem. 38(17): 1528-1537 (2017) - 2015
- [j5]Felix Plasser, Benjamin Thomitzni, Stefanie A. Bäppler, Jan Wenzel, Dirk R. Rehn, Michael Wormit, Andreas Dreuw:
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation. J. Comput. Chem. 36(21): 1609-1620 (2015) - 2014
- [j4]Jan Wenzel, Michael Wormit, Andreas Dreuw:
Calculating core-level excitations and x-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator. J. Comput. Chem. 35(26): 1900-1915 (2014) - 2013
- [j3]Evgeny Epifanovsky, Michael Wormit, Tomasz Kus, Arie Landau, Dmitry Zuev, Kirill Khistyaev, Prashant Manohar, Ilya Kaliman, Andreas Dreuw, Anna I. Krylov:
New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations. J. Comput. Chem. 34(26): 2293-2309 (2013) - 2012
- [j2]Andreas Dreuw, Matthias A. Polkehn, Robert Binder, Alexander Heckel, Stefan Knippenberg:
Computational design of improved two-photon active caging compounds based on nitrodibenzofuran. J. Comput. Chem. 33(22): 1797-1805 (2012) - 2011
- [j1]Wenlan Liu, Volker Settels, Philipp H. P. Harbach, Andreas Dreuw, Reinhold F. Fink, Bernd Engels:
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. J. Comput. Chem. 32(9): 1971-1981 (2011)
Informal and Other Publications
- 2023
- [i1]Roman Remme, Tobias Kaczun, Maximilian Scheurer, Andreas Dreuw, Fred A. Hamprecht:
KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory. CoRR abs/2305.13316 (2023)
Coauthor Index
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