Sebastian Höfener

15PUBLICATIONS
16CO-AUTHORS
Theoretical quantum chemistryMolecular imaging (incl. electron microscopy and neutron diffraction)Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Optical properties of materialsTransport properties and non-equilibrium processes
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Publications (15)

|Feb 18, 2026
Analytical nuclear second derivatives for frozen-density embedding employing self-consistent field methods.

Maximilian L Kronenberger, Sebastian Höfener

|Aug 06, 2025
Employing Frozen-Density Embedding to Tackle Local Perturbations in Two-Dimensional Periodic Molecular Environments.

Jimmy Weissert, Adrian Christoph Ellinger, Sebastian Höfener

|Dec 01, 2022
Pushing the limits: Efficient wavefunction methods for excited states in complex systems using frozen-density embedding.

Robert S Treß, Jing Liu, Christof Hättig

|Oct 08, 2022
Wavefunction frozen-density embedding with one-dimensional periodicity: Electronic polarization effects from local perturbations.

Martha Tordis Wachter-Lehn, Karin Fink, Sebastian Höfener

|Feb 08, 2022
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).

Samaneh Inanlou, Rodrigo Cortés-Mejía, Ali Deniz Özdemir

|Feb 02, 2022
Employing Pseudopotentials to Tackle Excited-State Electron Spill-Out in Frozen Density Embedding Calculations.

Robert S Treß, Christof Hättig, Sebastian Höfener

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Frequent Collaborators

3 joint publications

Lutz H Gade

3 joint publications

Marcus Elstner

2 joint publications

Robert S Treß

2 joint publications

Christof Hättig