Stefanie Mewes
Stefanie Mewes
Massey University
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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
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
New tools for the systematic analysis and visualization of electronic excitations. II. Applications
F Plasser, SA Bšppler, M Wormit, A Dreuw
The Journal of chemical physics 141 (2), 024107, 2014
Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures
SA Bšppler, F Plasser, M Wormit, A Dreuw
Physical Review A 90 (5), 052521, 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
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron‐hole correlation
F Plasser, B Thomitzni, SA Bšppler, J Wenzel, DR Rehn, M Wormit, ...
Journal of computational chemistry 36 (21), 1609-1620, 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
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
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
Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene
F Plasser, SA Mewes, A Dreuw, L GonzŠlez
Journal of Chemical Theory and Computation 13 (11), 5343-5353, 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
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
Exciton analysis tools for quantum-chemical investigation of molecular photochemistry
SA Mewes
New Tools for the Analysis of Electronic Excitation Processes
F Plasser, SA Mewes, S Mai, JJ Nogueira, A Dreuw, L GonzŠlez
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