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Stefanie A. Mewes
Honorary Research Fellow
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Centre for Theoretical Chemistry and Physics
Bob Tindall Bldg., NZ Institute for Advanced Study
Massey University (Albany Campus)
Private Bag 102904
North Shore MSC, Auckland
New Zealand
Phone +64 9 414 0800 ext. 43635
Email: stefanie.mewes at iwr.uni-heidelberg.de
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Research interests:
- Molecular excited states, excitons
- Evaluation and benchmarking of excited-state methods (ADC, EOM-CCSD, TDDFT, multireference methods)
Selected Publications:
(For a complete list please be referred to
Google Scholar or
Research Gate)
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SAM, F. Plasser, A. Krylov, A. Dreuw
"Benchmarking excited-state calculations using exciton properties"
JCTC 14 (2), 710-725 (2018)
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F. Plasser, SAM, A. Dreuw, L Gonzalez
"Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene"
JCTC 13 (11), 5343-5353 (2017)
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SAM, F. Plasser, A. Dreuw,
"Universal exciton size in Organic
Polymers is Determined by Nonlocal Orbital Exchange in Time-Dependent
Density Functional Theory"
J. Phys. Chem. Lett. 8 (6), 1205-1210 (2017)
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SAM, JM Mewes, A Dreuw, F Plasser
"Excitons in poly (para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations"
PCCP 18 (4), 2548-2563 (2016).
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SAM, F Plasser, A Dreuw
"Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters"
J. Chem. Phys. 143 (17), 171101 (2015).
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F Plasser, B Thomitzni, , SAB, J Wenzel, DR Rehn, M Wormit, A Dreuw
"Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation"
J. Comp. Chem. 36 (21), 1609-1620 (2015).
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SAB, F Plasser, M Wormit, A Dreuw
"Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures"
Phys. Rev. A 90, 052521 (2014).
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