Jonas Greiner

Master thesis (2020)

under supervision of Prof. Dr. J. Gauß

Quantenchemische Berechnung von Reaktionspfaden und Tunnelwahrscheinlichkeiten

 

PhD thesis (since October 2020)

under supervision of Prof. Dr. J. Gauß

Electron Correlation Treatment via Many-Body Expansions

 

Publications

    1. Calculation of Vibrationally Resolved Absorption and Fluorescence Spectra of the Rylenes
      J. Greiner and D. Sundholm
      Phys. Chem. Chem. Phys. 22, 2379-2385 (2020)
    1. Photophysical Properties of the Triangular [Au(HN=COH)]3 Complex and its Dimer
      J. Greiner, R. R. Valiev and D. Sundholm
      Phys. Chem. Chem. Phys. 22, 10314-10321 (2020)
    2. Symmetrization of Localized Molecular Orbitals
      J. Greiner and J.J. Eriksen
      J. Phys. Chem. A. 127, 3535–3542 (2023)
    3. MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces
      J. Greiner, I. Gianni, T. Nottoli, F. Lipparini, J.J. Eriksen, and J. Gauss
       J. Chem. Theor. Comp. 20, 4663-4675 (2024)
    4. Error Control and Automatic Detection of Reference Active Spaces in Many-Body Expanded Full Configuration Interaction
      J. Greiner, J. Gauss, and J.J. Eriksen
       J. Phys. Chem. A, acceptedfor publication (2024)