Tilmann Bodenstein

Academic interests
Strong correlation, multireference wave functions, coupled cluster methods, quantum dynamics, relativistic quantum chemistry, molecular magnetism, tensor contraction engines, data science.
Publications
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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.
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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.
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A. Eichhöfer, V. Andrushko, T. Bodenstein, K. Fink, Eur. J. Inorg. Chem. 22, 3510–3520 (2014). Trinuclear Early/Late-Transition-Metal Thiolate Complexes.
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T. Bodenstein, K. Fink, AIP Conf. Proc., 1702, 090011 (2015). Ab initio calculations on the magnetic properties of transition metal complexes.
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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].
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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.
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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.
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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.
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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
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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.
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N. Schieschke, T. Bodenstein, S. Höfener, Mol. Phys. 9, 1-11 (2019), Frozen- density embedding employing configuration interaction as a subsystem method
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T. Bodenstein, S. Kvaal, J. Chem. Phys. 153(2), 024106 (2020). A state-specific multireference coupled-cluster method based on the bivariational principle
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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
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Bodenstein, Tilmann; Heimermann, Andreas; Fink, Karin & van Wüllen, Christoph (2021). Development and Application of a Complete Active Space Spin-Orbit Configuration Interaction Program Designed for Single Molecule Magnets. ChemPhysChem. ISSN 1439-4235. doi: 10.1002/cphc.202100648. Full text in Research Archive
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Pedersen, Thomas Bondo; Kristiansen, Håkon Emil; Bodenstein, Tilmann; Kvaal, Simen & Schøyen, Øyvind Sigmundson (2021). Interpretation of Coupled-Cluster Many-Electron Dynamics in Terms of Stationary States. Journal of Chemical Theory and Computation. ISSN 1549-9618. 17(1), p. 388–404. doi: 10.1021/acs.jctc.0c00977. Full text in Research Archive Show summary
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Bodenstein, Tilmann & Kvaal, Simen (2020). A state-specific multireference coupled-cluster method based on the bivariational principle. Journal of Chemical Physics. ISSN 0021-9606. 153(2). doi: 10.1063/5.0009429. Full text in Research Archive
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Kvaal, Simen; Laestadius, Andre & Bodenstein, Tilmann (2020). Guaranteed convergence for a class of coupled-cluster methods based on Arponen's extended theory. Molecular Physics. ISSN 0026-8976. 118(19-20). doi: 10.1080/00268976.2020.1810349. Full text in Research Archive
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Bodenstein, Tilmann & Eichhofer, Andreas (2019). Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe3)2}2L]—experiment and theory†. Dalton Transactions. ISSN 1477-9226. 48(41), p. 15699–15712. doi: 10.1039/c9dt01702j.
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Schieschke, Nils; Bodenstein, Tilmann & Höfener, Sebastian (2019). Frozen-density embedding employing configuration interaction as a subsystem method. Molecular Physics. ISSN 0026-8976. 118(12). doi: 10.1080/00268976.2019.1665726.
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Bodenstein, Tilmann & Kvaal, Simen (2020). A multireference coupled-cluster method based on the bivariational principle.