| 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), 2021 | 910 | 2021 |
| OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019 | 868* | 2019 |
| New tools for the systematic analysis and visualization of electronic excitations. II. Applications F Plasser, SA Bäppler, M Wormit, A Dreuw The Journal of chemical physics 141 (2), 024107, 2014 | 266 | 2014 |
| Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures SA Bäppler, F Plasser, M Wormit, A Dreuw Physical Review A 90 (5), 052521, 2014 | 170 | 2014 |
| Benchmarking excited-state calculations using exciton properties SA Mewes, F Plasser, A Krylov, A Dreuw Journal of chemical theory and computation 14 (2), 710-725, 2018 | 158 | 2018 |
| Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron‐hole correlation F Plasser, B Thomitzni, SA Bäppler, J Wenzel, DR Rehn, M Wormit, ... Journal of computational chemistry 36 (21), 1609-1620, 2015 | 126 | 2015 |
| Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters SA Mewes, F Plasser, A Dreuw The Journal of Chemical Physics 143 (17), 2015 | 91 | 2015 |
| Excitons in poly (para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations SA Mewes, JM Mewes, A Dreuw, F Plasser Physical Chemistry Chemical Physics 18 (4), 2548-2563, 2016 | 77 | 2016 |
| Universal exciton size in organic polymers is determined by nonlocal orbital exchange in time-dependent density functional theory SA Mewes, F Plasser, A Dreuw The Journal of Physical Chemistry Letters 8 (6), 1205-1210, 2017 | 65 | 2017 |
| Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene F Plasser, SA Mewes, A Dreuw, L González Journal of Chemical Theory and Computation 13 (11), 5343-5353, 2017 | 51 | 2017 |
| Density-based descriptors and exciton analyses for visualizing and understanding the electronic structure of excited states SA Mewes, A Dreuw Physical Chemistry Chemical Physics 21 (6), 2843-2856, 2019 | 50 | 2019 |
| Electron–Hole Correlation as Unambiguous and Universal Classification for the Nature of Low-Lying ππ* States of Nitrogen Heterocycles M Hoffmann, SA Mewes, S Wieland, C Popp, A Dreuw The Journal of Physical Chemistry Letters 10 (20), 6112-6117, 2019 | 21 | 2019 |
| Exciton analysis tools for quantum-chemical investigation of molecular photochemistry SA Mewes | | 2018 |
| New Tools for the Analysis of Electronic Excitation Processes F Plasser, SA Mewes, S Mai, JJ Nogueira, A Dreuw, L González | | |
Andreas DreuwInterdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Heidelberg, GermanyПодтвержден адрес электронной почты в домене uni-heidelberg.de