Till Kirsch

Masterarbeit (2017)

unter Betreuung von Prof. Dr. J. Gauss

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


Dissertation (seit November 2017)

unter Betreuung von 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)
      2. 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)
      3. 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)
      4. 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)