Till Kirsch

Master thesis (2017)

under supervision of Prof. Dr. J. Gauss

Analytische Ableitungen der Energie für die X2C-mf-Methode zur Behandlung relativistischer Effekte in quantenchemischen Rechnungen


PhD thesis (since November 2017)

under supervision of Prof. Dr. J. Gauß

Multi-resolution methods including quantum chemistry, force fields, coarse grained and hybrid particle-field schemes



    1. The Rotational Spectrum of 17O2 up to the THz Region
      G. Cazzoli, T. Kirsch, J. Gauss and C. Puzzarini
      J. Quant. Spectr. Rad. Tran. 168, 10-16 (2016)
    1. Laboratory Measurements and Astronomical Search for the HSO Radical
      G. Cazzoli, V. Lattanzi, T. Kirsch, J. Gauss, B. Tercero, J. Cernicharo and C. Puzzarini
      Astron. & Astrophys. 591, A126-1-7 (2016)
    1. Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac-Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and Hafnium
      F. Lipparini, T. Kirsch, A. Köhn and J. Gauss
      J. Chem. Theor. Comp. 13, 3171-3184 (2017)
    1. Analytic Calculation of First-Order Properties within the Mean-Field Variant of Spin-Free Exact Two-Component Theory
      T. Kirsch, F. Engel and J. Gauss
      J. Chem. Phys. 150, 204115-1-9 (2019)