Marios-Petros Kitsaras

Master thesis (2018)

under supervision of PD Dr. Dirk Andrae, FU Berlin

Theoretical Study of (Ne,Ar)NiFn, n=1-3,and their Monocations


PhD thesis (since February 2019)

under supervision of Dr. S. Stopkowicz

Coupled-Cluster-Methoden zur Untersuchung der Chemie auf magnetischen Weißen Zwergen



    1. Accurate ab initio investigation of the ground and some low-lying electronic states of boron monoiodide, BI, and its ions BI+ and BI−
      M.-P. Kitsaras and A. Papakondylis
      Chem. Phys. Lett., 692, 367-373 (2018)
    1. Searching for Monomeric Nickel Tetrafluoride: Unravelling Infrared Matrix Isolation Spectra of Higher Nickel Fluorides
      Sebastian Hasenstab-Riedel, Lin Li, Ahmed K. Sakr, Tobias Schlöder, Siri Klein, Helmut Beckers, Marios-Petros Kitsaras, Howard V. Snelling, Nigel A. Young, Dirk Andrae
      Angew. Chem. Int. Ed. 2021, 60, 6391-6394 (2020)
    1. Spin contamination in MP2 and CC2, a surprising issue
      Marios-Petros Kitsaras and Stella Stopkowicz
      J. Chem. Phys. 154, 131101 (2021)