Sebastian Höfener - Publications, H-index & Citations

Wavefunction frozen-density embedding with one-dimensional periodicity: Electronic polarization effects from local perturbations

IF3.1

2022-11-22

PREAI

Tress, Robert S.; Liu, Jing; Haettig, Christof; Hoefener, Sebastian

Employing Pseudopotentials to Tackle Excited-State Electron Spill-Out in Frozen Density Embedding Calculations

IF3.1

2022-10-07

OAAI

Wachter-Lehn, Martha Tordis; Fink, Karin; Hoefener, Sebastian

Geometry dependence of excitonic couplings and the consequences for configuration-space sampling

IF5.5

2022-02-02

PREAI

Tress, Robert S.; Haettig, Christof; Hoefener, Sebastian

Combining wavefunction frozen-density embedding with one-dimensional periodicity

IF4.8

2021-05-16

OAAI

Schieschke, Nils; Bold, Beatrix M.; Dohmen, Philipp M.; Wehl, Daniel; Hoffmann, Marvin; Dreuw, Andreas; Elstner, Marcus; Hoefener, Sebastian

Analytical Time-Dependent Long-Range Corrected Density Functional Tight Binding (TD-LC-DFTB) Gradients in DFTB plus : Implementation and Benchmark for Excited-State Geometries and Transition Energies

IF3.1

2021-03-10

OAAI

Fink, Karin; Hoefener, Sebastian

A Fock-operator complete active space self-consistent field (CAS-SCF) method combined with frozen-density embedding

IF5.5

2021-03-09

PREAI

Sokolov, Monja; Bold, Beatrix M.; Kranz, Julian J.; Hofener, Sebastian; Niehaus, Thomas A.; Elstner, Marcus

Analytical nuclear gradients for electron-attached and electron-detached states for the second-order algebraic diagrammatic construction scheme combined with frozen-density embedding

IF3.1

2021-02-26

OAAI

Schieschke, Nils; Bodenstein, Tilmann; Hoefener, Sebastian

Perhalogenated Tetraazaperopyrenes and Their Corresponding Mono- and Dianions

IF3.1

2020-05-06

PREAI

Liu, Jing; Haettig, Christof; Hoefener, Sebastian

ORGANIC LETTERS

IF5

2020-03-02

PREAI

Guenther, Benjamin A. R.; Hoefener, Sebastian; Eichelmann, Robert; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.

Twisting the TAPPs: Bay-Substituted Non-planar Tetraazapero-pyrenes and their Reduced Anions

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2019-10-22

OAAI

Guenther, Benjamin A. R.; Hoefener, Sebastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.

The extended explicitly-correlated second-order approximate coupled-cluster singles and doubles ansatz suitable for response theory

IF3.1

2019-05-10

PREAI

Hoefener, Sebastian; Schieschke, Nils; Klopper, Wim; Koehn, Andreas

Analytical Nuclear Excited-State Gradients for the Second-Order Approximate Coupled-Cluster Singles and Doubles (CC2) Method Employing Uncoupled Frozen-Density Embedding

IF3.1

2019-04-30

PREAI

Hodecker, Manuel; Rehn, Dirk P.; Dreuw, Andreas; Hoefener, Sebastian

Communication: Biological applications of coupled-cluster frozen-density embedding

IF5.5

2018-08-07

PREAI

Heuser, Johannes; Hoefener, Sebastian

Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embedding

IF3.1

2018-04-09

OAAI

Heuser, Johannes; Hoefener, Sebastian

Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties

IF4.8

2017-08-01

PREAI

Heuser, Johannes; Hoefener, Sebastian

Wave-function frozen-density embedding: Approximate analytical nuclear ground-state gradients

IF4.8

2017-05-17

PREAI

Schieschke, Nils; Di Remigio, Roberto; Frediani, Luca; Heuser, Johannes; Hoefener, Sebastian

Wave Function Frozen-Density Embedding: Coupled Excitations

IF4.8

2016-01-24

PREAI

Heuser, Johannes; Hoefener, Sebastian

Frozen-Density Embedding Potentials and Chiroptical Properties

IF5.5

2016-01-03

OAAI

Hofener, Sebastian; Visscher, Lucas