VSC School MRCI Dynamics

Markus Oppel
University of Vienna (Universität Wien)
Institut für Theoretische Chemie, Institute of Theoretical Chemistry

VSC project / type: 70726 / internal

VSC-2 / status: 2015-06-19 - 2018-06-21 / active
VSC-3 / status: 2015-03-26 - 2018-03-28 / active

Publications:

  • Holzer Brigitte, Bintinger Johannes, Lumpi Daniel, Choi Christopher, Kim Youngwan, Stoger Berthold, Hametner Christian, Marchetti-Deschmann Martina, Plasser Felix, Horkel Ernst, Kymissis Ioannis, Frohlich Johannes
    Color Fine-Tuning of Optical Materials Through Rational Design.
    Chemphyschem : a European journal of chemical physics and physical chemistry None, (2016)

  • Plasser Felix, Gonzalez Leticia
    Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps
    JOURNAL OF CHEMICAL PHYSICS 145, 021103 (2016)

  • Plasser Felix
    Entanglement entropy of electronic excitations
    JOURNAL OF CHEMICAL PHYSICS 144, 194107 (2016)

  • Das Anita, Mueller Thomas, Plasser Felix, Lischka Hans
    Polyradical Character of Triangular Non-Kekule Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study
    JOURNAL OF PHYSICAL CHEMISTRY A 120, 1625 (2016)

  • Plasser Felix, Ruckenbauer Matthias, Mai Sebastian, Oppel Markus, Marquetand Philipp, Gonzalez Leticia
    Efficient and Flexible Computation of Many-Electron Wave Function Overlaps
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12, 1207 (2016)

  • Mewes Stefanie A., Mewes Jan-Michael, Dreuw Andreas, Plasser Felix
    Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18, 2548 (2016)

  • Mewes Stefanie A., Plasser Felix, Dreuw Andreas
    Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters
    JOURNAL OF CHEMICAL PHYSICS 143, 171101 (2015)

  • Plasser Felix, Thomitzni Benjamin, Baeppler Stefanie A., Wenzel Jan, Rehn Dirk R., Wormit Michael, Dreuw Andreas
    Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation
    JOURNAL OF COMPUTATIONAL CHEMISTRY 36, 1609 (2015)



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