Sebastian Höfener

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 12

Top Topics

Density Functional Theory

Room Temperature

Energy Transfer

Top Venues

Journal of computational chemistry

The journal of physical chemistry. A

Journal of chemical theory and computation

Organic letters

This page only lists publications with an associated author ORCID identifier.

Publications

Samaneh Inanlou, Rodrigo Cortés-Mejía, Ali Deniz Özdemir, Sebastian Höfener, Wim Klopper, Wolfgang Wenzel, Weiwei Xie, Marcus Elstner
Understanding excited state properties of host materials in OLEDs: simulation of absorption spectrum of amorphous 4,4-bis(carbazol-9-yl)-2,2-biphenyl (CBP). Physical chemistry chemical physics : PCCP 24 (7) (2022)
Robert S Treß, Christof Hättig, Sebastian Höfener
Employing Pseudopotentials to Tackle Excited-State Electron Spill-Out in Frozen Density Embedding Calculations. Journal of chemical theory and computation 18 (3) (2022)
Robert S Treß, Jing Liu, Christof Hättig, Sebastian Höfener
Pushing the limits: Efficient wavefunction methods for excited states in complex systems using frozen-density embedding. The Journal of chemical physics 157 (20) (2022)
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. Journal of computational chemistry 42 (20) (2021)
Monja Sokolov, Beatrix M Bold, Julian J Kranz, Sebastian Höfener, Thomas A Niehaus, Marcus Elstner
Analytical Time-Dependent Long-Range Corrected Density Functional Tight Binding (TD-LC-DFTB) Gradients in DFTB+: Implementation and Benchmark for Excited-State Geometries and Transition Energies. Journal of chemical theory and computation 17 (4) (2021)
Benjamin A R Günther, Sebastian Höfener, Robert Eichelmann, Ute Zschieschang, Hubert Wadepohl, Hagen Klauk, Lutz H Gade
Perhalogenated Tetraazaperopyrenes and Their Corresponding Mono- and Dianions. Organic letters 22 (6) (2020)
Nikolaus Wollscheid, Benjamin Günther, Vaishnavi J Rao, Felix J Berger, J Luis Pérez Lustres, Marcus Motzkus, Jana Zaumseil, Lutz H Gade, Sebastian Höfener, Tiago Buckup
Ultrafast Singlet Fission and Intersystem Crossing in Halogenated Tetraazaperopyrenes. The journal of physical chemistry. A 124 (39) (2020)
Sebastian Höfener, Benjamin A R Günther, Michael E Harding, Lutz H Gade
Understanding UV-Vis Spectra of Halogenated Tetraazaperopyrenes (TAPPs): A Computational Study. The journal of physical chemistry. A 123 (14) (2019)
Franziska E Wolff, Sebastian Höfener, Marcus Elstner, Tomasz Adam Wesołowski
Origin of the Solvatochromism in Organic Fluorophores with Flexible Side Chains: A Case Study of Flugi-2. The journal of physical chemistry. A 123 (21) (2019)
Johannes Heuser, Sebastian Höfener
Analytical Nuclear Excited-State Gradients for the Second-Order Approximate Coupled-Cluster Singles and Doubles (CC2) Method Employing Uncoupled Frozen-Density Embedding. Journal of chemical theory and computation 14 (9) (2018)
Johannes Heuser, Sebastian Höfener
Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embedding. Journal of computational chemistry 38 (27) (2017)
Nils Schieschke, Roberto Di Remigio, Luca Frediani, Johannes Heuser, Sebastian Höfener
Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties. Journal of computational chemistry 38 (19) (2017)