Academic interests
Strong correlation, multireference wave functions, coupled cluster methods, quantum dynamics, relativistic quantum chemistry, molecular magnetism, tensor contraction engines, data science.
Strong correlation, multireference wave functions, coupled cluster methods, quantum dynamics, relativistic quantum chemistry, molecular magnetism, tensor contraction engines, data science.
S. Wagner, F. Kisslinger, S. Ballmann, F. Schramm, R. Chandrasekar, T. Bodenstein, O. Fuhr, D. Secker, K. Fink, M. Ruben, H. B. Weber, Nat. Nanotechnol. 8, 575–579 (2013). Switching of a coupled spin pair in a single-molecule junction.
A. Eichhöfer, Y. Lan, V. Mereacre, T. Bodenstein, F. Weigend, Inorg. Chem. 53(4) 1962–1974 (2014). Slow magnetic relaxation in trigonal-planar mononuclear Fe(II) and Co(II) bis(trimethylsilyl)amido complexes – a comparative study.
A. Eichhöfer, V. Andrushko, T. Bodenstein, K. Fink, Eur. J. Inorg. Chem. 22, 3510–3520 (2014). Trinuclear Early/Late-Transition-Metal Thiolate Complexes.
T. Bodenstein, K. Fink, AIP Conf. Proc., 1702, 090011 (2015). Ab initio calculations on the magnetic properties of transition metal complexes.
W. Lin, T. Bodenstein, V. Mereacre, K. Fink, A. Eichhöfer, Inorg. Chem. (2016), Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh3)2]·C4H8O and [Ni(N(SiMe3)2)(PPh3)2].
B. Schäfer, J.-F. Greisch, I. Faus, T. Bodenstein, I. Šalitroš, O. Fuhr, M. M. Kappes, V. Schünemann, K. Fink, M. Ruben, Angew. Chem. Int. Ed. 55, 10881 (2016). Divergent coordination chemistry – parallel synthesis of [2x2] Fe(II) grid-complex tauto-conformers.
Y. Peng, T. Bodenstein, K. Fink, V. Mereacre, C. Anson, A. Powell, Phys. Chem. Chem. Phys. 18, 30135 (2016). Magnetic anisotropy of a Co(II) Single Ion Magnet with distorted trigonal prismatic coordination: Theory and Experiment.
Y. Peng, V. Mereacre, C. Anson, Y.-Q. Zhang, T. Bodenstein, K. Fink, A. Powell, Inorg. Chem. 56(11), 6056–6066 (2017). Field-induced Co(II) SIMs with mer Directing Ligands but Ambiguous Coordination Geometry.
H. Meng, X. Chen, T. Bodenstein, A. Nyvang, S. F. M. Schmidt, Y. Peng, E. Moreno-Pineda, M. Ruben, K. Fink, M. T. Gamer, A. K. Powell, P. W. Roesky, Organometallics 37(21), 3708–3717 (2018), Enantiopure Benzamidinate / Cyclooctatetraene Complexes of the Rare-Earth Elements: Synthesis, Structure, and Magnetism
T. Bodenstein, A. Eichhöfer, Dalton Trans. (2019), doi: 10.1039/c9dt01702j, Magnetic anisotropy in trigonal planar Fe(II) bis(trimethylsilyl)amido comple- xes of the type [FeN(SiMe3)22L]—experiment and theory.
N. Schieschke, T. Bodenstein, S. Höfener, Mol. Phys. 9, 1-11 (2019), Frozen- density embedding employing configuration interaction as a subsystem method
T. Bodenstein, S. Kvaal, J. Chem. Phys. 153(2), 024106 (2020). A state-specific multireference coupled-cluster method based on the bivariational principle
S. Kvaal, A. Laestadius, T. Bodenstein, Mol. Phys. (2020), doi: 10.1080/00268976.2020.1810349, Guaranteed convergence for a class of coupled cluster methods based on Arponen’s extended theory