Water Adsorption on Ideal Anatase-TiO2 (101) – An Embedded Cluster Model for Accurate Adsorption Energetics and Excited State Properties T Petersen, T Klüner
Zeitschrift für Physikalische Chemie 234 (5), 813-834, 2020
21 2020 Magnetic properties and signatures of moment ordering in the triangular lattice antiferromagnet MM Bordelon, X Wang, DM Pajerowski, A Banerjee, M Sherwin, ...
Physical Review B 104 (9), 094421, 2021
13 2021 Energy scales in MS Eldeeb, T Petersen, L Hozoi, V Yushankhai, UK Rößler
Physical Review Materials 4 (12), 124001, 2020
9 2020 Photodesorption of H2 O from Anatase-TiO2 (101): A Combined Quantum Chemical and Quantum Dynamical Study T Petersen, T Klüner
The Journal of Physical Chemistry C 124 (21), 11444-11455, 2020
8 2020 How correlations and Spin–Orbit coupling work within extended orbitals of transition-metal tetrahedra of 4d/5d Lacunar Spinels T Petersen, L Prodan, V Tsurkan, HA Krug von Nidda, I Kézsmárki, ...
The Journal of Physical Chemistry Letters 13 (7), 1681-1686, 2022
7 2022 Spin-orbit excitons and electronic configuration of the Z Porter, PM Sarte, T Petersen, MH Upton, L Hozoi, SD Wilson
Physical Review B 106 (11), 115140, 2022
6 2022 Static magnetic and ESR spectroscopic properties of the dimer-chain antiferromagnet M Iakovleva, T Petersen, A Alfonsov, Y Skourski, HJ Grafe, E Vavilova, ...
Physical Review Materials 6 (9), 094413, 2022
6 2022 High-dimensional wave packet dynamics from first principles: Photodissociation of water on TiO2-rutile (110) T Petersen, J Mitschker, T Klüner
Journal of Photochemistry and Photobiology A: Chemistry 366, 3-11, 2018
6 2018 Resonating holes vs molecular spin-orbit coupled states in group-5 lacunar spinels T Petersen, P Bhattacharyya, UK Rößler, L Hozoi
Nature Communications 14 (1), 5218, 2023
5 2023 Electronic and structural properties of BR Ortiz, MM Bordelon, P Bhattacharyya, G Pokharel, PM Sarte, ...
Physical Review Materials 6 (8), 084402, 2022
5 2022 Dressed j eff -1/2 objects in mixed-valence lacunar spinel molybdates T Petersen, L Prodan, K Geirhos, H Nakamura, I Kézsmárki, L Hozoi
Scientific Reports 13 (1), 2411, 2023
4 2023 Quantum chemical insights into hexaboride electronic structures: correlations within the boron p -orbital subsystem T Petersen, UK Rößler, L Hozoi
Communications Physics 5 (1), 214, 2022
3 2022 Kitaev-Heisenberg cobaltates: Coulomb exchange as leading nearest-neighbor interaction mechanism P Bhattacharyya, T Petersen, S Nishimoto, L Hozoi
arXiv preprint arXiv:2404.12742, 2024
1 2024 Luxuriant correlation landscape in lacunar spinels: multiconfiguration expansions in molecular-orbital basis vs resonant valence structures T Petersen, UK Rößler, L Hozoi
arXiv e-prints, arXiv: 2301.03392, 2023
1 2023 CD Stretching Modes are Sensitive to the Microenvironment in Ionic Liquids T Sieling, T Petersen, T Alpers, J Christoffers, T Klüner, I Brand
Chemistry–A European Journal 27 (71), 17808-17817, 2021
1 2021 Coulomb exchange as source of Kitaev and off-diagonal symmetric anisotropic couplings P Bhattacharyya, T Petersen, NA Bogdanov, L Hozoi
Communications Physics 7 (1), 121, 2024
2024 Anisotropic Coulomb exchange as source of Kitaev and off-diagonal symmetric anisotropic couplings P Bhattacharyya, T Petersen, NA Bogdanov, L Hozoi
arXiv preprint arXiv:2306.17491, 2023
2023 Energy scales in 4f (1) delafossite magnets: Crystal-field splittings larger than the strength of spin-orbit coupling in KCeO2 (vol 4, 124001, 2020) MS Eldeeb, T Petersen, L Hozoi, V Yushankhai, UK Rossler
PHYSICAL REVIEW MATERIALS 6 (2), 2022
2022 Modeling H2 O/Rutile-TiO2 (110) Potential Energy Surfaces with Deep Networks S Oehmcke, T Teusch, T Petersen, T Klüner, O Kramer
2020 International Joint Conference on Neural Networks (IJCNN), 1-7, 2020
2020 Quantum Chemical and Quantum Dynamical Investigation on the Photochemistry of Water on Anatase-TiO2 (101) T Petersen
Carl von Ossietzky Universität Oldenburg, 2020
2020 