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Thomas Froitzheim

8PUBLICATIONS
13CO-AUTHORS
Transport properties and non-equilibrium processesTheoretical quantum chemistryInterior designElectrochemical energy storage and conversionPhotovoltaic power systems
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Journal

Publications (8)

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|Jun 23, 2026
A Molecular "Thermometer" for Measuring Effective Non-Local Exchange.

|Sep 02, 2025
On the performance of DFT/MRCI for singlet-triplet gaps and emission energies of thermally activated delayed fluorescence molecules.

Mike Pauls, Thomas Froitzheim, Alexei Torgashov

|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

|Dec 02, 2024
Advanced Charge Extended Hückel (CEH) Model and a Consistent Adaptive Minimal Basis Set for the Elements <i>Z</i> = 1-103.

Marcel Müller, Thomas Froitzheim, Andreas Hansen

|Jul 31, 2024
ΔDFT Predicts Inverted Singlet-Triplet Gaps with Chemical Accuracy at a Fraction of the Cost of Wave Function-Based Approaches.

Lukas Kunze, Thomas Froitzheim, Andreas Hansen

|Jul 19, 2024
Benchmarking Charge-Transfer Excited States in TADF Emitters: ΔDFT Outperforms TD-DFT for Emission Energies.

Thomas Froitzheim, Lukas Kunze, Stefan Grimme

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Frequent Collaborators

6 joint publications

Stefan Grimme

6 joint publications

Jan-Michael Mewes

3 joint publications

Andreas Hansen

2 joint publications

Lukas Kunze

2 joint publications

Marcel Müller

1 joint publications

Michael Bolte

1 joint publications

Markus Braun

1 joint publications

Hans-Wolfram Lerner

1 joint publications

Matthias Wagner

1 joint publications

John M Herbert

Frequent Collaborators

6 joint publications

Stefan Grimme

6 joint publications

Jan-Michael Mewes

3 joint publications

Andreas Hansen

2 joint publications

Lukas Kunze