| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of Chemical Physics 155 (8), 084801, 2021 | 838 | 2021 |
| Gold‐catalyzed intermolecular addition of carbonyl compounds to 1, 6‐enynes M Schelwies, AL Dempwolff, F Rominger, G Helmchen Angewandte Chemie International Edition 46 (29), 5598-5601, 2007 | 122 | 2007 |
| Gold‐Catalyzed Intermolecular Addition of Carbonyl Compounds to 1, 6‐Enynes: Reactivity, Scope, and Mechanistic Aspects M Schelwies, R Moser, AL Dempwolff, F Rominger, G Helmchen Chemistry–A European Journal 15 (41), 10888-10900, 2009 | 65 | 2009 |
| Probing competing relaxation pathways in malonaldehyde with transient X-ray absorption spectroscopy NH List, AL Dempwolff, A Dreuw, P Norman, TJ Martínez Chemical Science 11 (16), 4180-4193, 2020 | 43 | 2020 |
| Efficient implementation of the non-Dyson third-order algebraic diagrammatic construction approximation for the electron propagator for closed-and open-shell molecules AL Dempwolff, M Schneider, M Hodecker, A Dreuw The Journal of Chemical Physics 150 (6), 2019 | 42 | 2019 |
| Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking AL Dempwolff, AC Paul, AM Belogolova, AB Trofimov, A Dreuw The Journal of chemical physics 152 (2), 024125, 2020 | 32 | 2020 |
| Gold‐katalysierte intermolekulare Addition von Carbonylverbindungen an 1, 6‐Enine M Schelwies, AL Dempwolff, F Rominger, G Helmchen Angewandte Chemie 119 (29), 5694-5697, 2007 | 30 | 2007 |
| The fourth-order algebraic diagrammatic construction scheme for the polarization propagator J Leitner, AL Dempwolff, A Dreuw The Journal of Chemical Physics 157 (18), 184101, 2022 | 21 | 2022 |
| Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation AL Dempwolff, AC Paul, AM Belogolova, AB Trofimov, A Dreuw The Journal of Chemical Physics 152 (2), 2020 | 20 | 2020 |
| Gator: A Python‐driven program for spectroscopy simulations using correlated wave functions DR Rehn, Z Rinkevicius, MF Herbst, X Li, M Scheurer, M Brand, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (6), e1528, 2021 | 19 | 2021 |
| CAP/EA-ADC method for metastable anions: Computational aspects and application to π* resonances of norbornadiene and 1,4-cyclohexadiene AL Dempwolff, AM Belogolova, T Sommerfeld, AB Trofimov, A Dreuw The Journal of Chemical Physics 155 (5), 054103, 2021 | 18 | 2021 |
| Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. I. Excitation energies M Hodecker, AL Dempwolff, DR Rehn, A Dreuw The Journal of chemical physics 150 (17), 174104, 2019 | 17 | 2019 |
| Vertical ionization potential benchmark for unitary coupled-cluster and algebraic-diagrammatic construction methods AL Dempwolff, M Hodecker, A Dreuw The Journal of Chemical Physics 156 (5), 054114, 2022 | 16 | 2022 |
| Algebraic diagrammatic construction schemes employing the intermediate state formalism: Theory, capabilities, and interpretation A Dreuw, A Papapostolou, AL Dempwolff The Journal of Physical Chemistry A 127 (32), 6635-6646, 2023 | 15 | 2023 |
| Intermediate state representation approach to physical properties of molecular electron-attached states: Theory, implementation, and benchmarking AL Dempwolff, AM Belogolova, AB Trofimov, A Dreuw The Journal of Chemical Physics 154 (10), 104117, 2021 | 15 | 2021 |
| Theoretical analysis and comparison of unitary coupled-cluster and algebraic-diagrammatic construction methods for ionization M Hodecker, AL Dempwolff, J Schirmer, A Dreuw The Journal of Chemical Physics 156 (7), 074104, 2022 | 13 | 2022 |
| Tuning UV Pump X-ray Probe Spectroscopy on the Nitrogen K Edge Reveals the Radiationless Relaxation of Pyrazine: Ab Initio Simulations Using the … T Kaczun, AL Dempwolff, X Huang, MF Gelin, W Domcke, A Dreuw The Journal of Physical Chemistry Letters 14 (24), 5648-5656, 2023 | 11 | 2023 |
| Exploring the accuracy and usefulness of semi-empirically scaled ADC schemes by blending second and third order terms M Bauer, AL Dempwolff, DR Rehn, A Dreuw The Journal of Chemical Physics 156 (14), 144101, 2022 | 8 | 2022 |
| A complex absorbing potential electron propagator approach to resonance states of metastable anions AM Belogolova, AL Dempwolff, A Dreuw, AB Trofimov Journal of Physics: Conference Series 1847 (1), 012050, 2021 | 8 | 2021 |
| Development and Implementation of High-Level Propagator Methods for the Description of Electronically Stable and Unstable States AL Dempwolff | 2 | 2020 |
