| TURBOMOLE: Today and tomorrow YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ... Journal of chemical theory and computation 19 (20), 6859-6890, 2023 | 99 | 2023 |
| Computation of electromagnetic properties of molecular ensembles I Fernandez‐Corbaton, D Beutel, C Rockstuhl, A Pausch, W Klopper ChemPhysChem 21 (9), 878-887, 2020 | 40 | 2020 |
| Efficient evaluation of three-centre two-electron integrals over London orbitals A Pausch, W Klopper Molecular Physics 118 (21-22), e1736675, 2020 | 39 | 2020 |
| Current density functional framework for spin–orbit coupling C Holzer, YJ Franzke, A Pausch The Journal of Chemical Physics 157 (20), 2022 | 22 | 2022 |
| The GW/BSE method in magnetic fields C Holzer, A Pausch, W Klopper Frontiers in Chemistry 9, 746162, 2021 | 21 | 2021 |
| Molecular dynamics of linear molecules in strong magnetic fields L Monzel, A Pausch, LDM Peters, EI Tellgren, T Helgaker, W Klopper The Journal of Chemical Physics 157 (5), 2022 | 20 | 2022 |
| Linear response of current-dependent density functional approximations in magnetic fields A Pausch, C Holzer The Journal of Physical Chemistry Letters 13 (19), 4335-4341, 2022 | 19 | 2022 |
| Efficient calculation of magnetic circular dichroism spectra using spin-noncollinear linear-response time-dependent density functional theory in finite magnetic fields A Pausch, C Holzer, W Klopper Journal of chemical theory and computation 18 (6), 3747-3758, 2022 | 16 | 2022 |
| Molecular point groups and symmetry in external magnetic fields A Pausch, M Gebele, W Klopper The Journal of Chemical Physics 155 (20), 2021 | 15 | 2021 |
| A fast electrochemical quartz crystal microbalance, which acquires frequency and bandwidth on multiple overtones J Petri, S Hochstädt, T Nentwig, A Pausch, A Langhoff, D Johannsmann Electroanalysis 29 (3), 806-813, 2017 | 12 | 2017 |
| Chiral Resolution of Spin‐Crossover Active Iron (II)[2x2] Grid Complexes N Suryadevara, A Pausch, E Moreno‐Pineda, A Mizuno, J Bürck, A Baksi, ... Chemistry–A European Journal 27 (61), 15172-15180, 2021 | 9 | 2021 |
| Development and application of efficient computational methods for molecular spectroscopy in finite magnetic fields AI Pausch | 4 | 2022 |
| Consistent Analytical Second Derivatives of the Kohn–Sham DFT Energy in the Framework of the Conductor-Like Screening Model through Gaussian Charge Distributions A Pausch Journal of Chemical Theory and Computation 20 (8), 3169-3183, 2024 | 3 | 2024 |
| Efficient approximate screening techniques for integrals over London atomic orbitals S Blaschke, S Stopkowicz, A Pausch The Journal of Chemical Physics 161 (2), 2024 | 2 | 2024 |
| An integral-direct GOSTSHYP algorithm for the computation of high pressure effects on molecular and electronic structure A Pausch, F Zeller, T Neudecker | | 2024 |
