Christof Hättig

33PUBLICATIONS
70CO-AUTHORS
Theoretical quantum chemistryRadiation and matterMolecular imaging (incl. electron microscopy and neutron diffraction)Chemical and thermal processes in energy and combustionNonlinear optics and spectroscopy
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Publications (33)

|Jun 15, 2026
Implementation of EC-RISM for ADC(2) and CC2 to Include Solvent Granularity Effects in Excited-State Energies and Gradients.

|Aug 26, 2025
Mind the gaps: what the STGABS27 set can teach about second-order excited state methods, solvent models, and charge transfer.

Thomas Froitzheim, Christof Hättig, Jan-Michael Mewes

|Aug 12, 2025
Comparison of the solvation models COSMO and EC-RISM for the prediction of photoacidity in aqueous solution.

Ömer F C Tiska, Niklas Sülzner, Julia Haberhauer

|Jul 02, 2025
Surface hopping simulations reveal deactivation pathways of a charge transfer system with planarizing and twisting motion.

Julia Haberhauer, Sebastian Mai, Leticia González

|Jun 30, 2025
Gradients of Ground and Excited States for CC2 and ADC(2) in Polarizable Continuum and Atomistic Embeddings within a Generalized PTED Coupling Scheme.

Christof Hättig, Ansgar Pausch

|Mar 27, 2025
Quantum Chemical Study on the Evolution of Sulfur Functional Groups during Char Burnout.

Bastian Schnieder, Rochus Schmid, Christof Hättig

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Frequent Collaborators

6 joint publications

Sonia Coriani

5 joint publications

Niklas Sülzner

4 joint publications

Julia Haberhauer

4 joint publications

Alireza Marefat Khah