Tobias Schäfer

10PUBLICATIONS
20CO-AUTHORS
Metal organic frameworksTheoretical quantum chemistryCondensed matter modelling and density functional theoryThermodynamics and statistical physics
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Journal

Publications (10)

|Oct 16, 2025
Convergence and Properties of Intrinsic Bond Orbitals in Solids.

Benjamin Wöckinger, Alexander Rumpf, Tobias Schäfer

|Oct 14, 2025
Understanding discrepancies in noncovalent interaction energies from wavefunction theories for large molecules.

Tobias Schäfer, Andreas Irmler, Alejandro Gallo

|Aug 13, 2025
An accurate and efficient framework for modelling the surface chemistry of ionic materials.

Benjamin X Shi, Andrew S Rosen, Tobias Schäfer

|Jul 08, 2025
Quantum-embedded equation-of-motion coupled-cluster approach to single-atom magnets on surfaces.

Maristella Alessio, Tobias Schäfer, Thomas-C Jagau

|Feb 04, 2025
Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit.

Evgeny Moerman, Alejandro Gallo, Andreas Irmler

|Dec 18, 2024
Ground States for Metals from Converged Coupled Cluster Calculations.

Tobias Schäfer

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Frequent Collaborators

6 joint publications

Andreas Grüneis

3 joint publications

James J Shepherd

3 joint publications

Andreas Irmler

2 joint publications

William Z Van Benschoten