CTCP
Centre for Theoretical Chemistry and Physics
at Massey University (Albany Campus), New Zealand





Stefanie A. Mewes

Honorary Research Fellow

Stefanie 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

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)

  • SAM, F. Plasser, A. Krylov, A. Dreuw
    "Benchmarking excited-state calculations using exciton properties"
    JCTC 14 (2), 710-725 (2018)

  • 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)

  • 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)

  • 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).

  • 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).

  • 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).

  • 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).

Maintained by Peter Schwerdtfeger | Last updated: February, 2018 | Copyright 2014 | Massey University