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Browsing by Author Plasser, Felix

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Issue DateTitleAuthor(s)
2018Benchmarking excited-state calculations using exciton propertiesMewes, Stefanie A.; Plasser, Felix; Krylov, Anna; Dreuw, Andreas
2016Challenges in simulating light-induced processes in DNAMarquetand, Philipp; Nogueira, Juan J.; Mai, Sebastian; Plasser, Felix; Gonzalez, Leticia
2017Charge-transfer states in triazole linked donor-acceptor materials: Strong effects of chemical modification and solvationKautny, Paul; Glocklhofer, Florian; Kader, Thomas; Mewes, Jan-Michael; Stoger, Berthold; Frohlich, Johannes; Lumpi, Daniel; Plasser, Felix
2017Chromophores from hexeneuronic acids: identification of HexA-derived chromophoresRosenau, Thomas; Potthast, Antje; Zwirchmayr, Nele Sophie; Hettegger, Hubert; Plasser, Felix; Hosoya, Takashi; Bacher, Markus; Krainz, Karin; Dietz, Thomas
2017Color fine-tuning of optical materials through rational designHolzer, Brigitte; Bintinger, Johannes; Lumpi, Daniel; Choi, Christopher; Kim, Youngwan; Stoger, Berthold; Hametner, Christian; Marchetti-Deschmann, Martina; Plasser, Felix; Horkel, Ernst; Kymissis, Ioannis; Frohlich, Johannes
2016Communication: Unambiguous comparison of many-electron wavefunctions through their overlapsPlasser, Felix; Gonzalez, Leticia
2017Detailed wave function analysis for multireference methods: Implementation in the molcas program package and applications to tetracenePlasser, Felix; Mewes, Stefanie A.; Dreuw, Andreas; Gonzalez, Leticia
2018Dynamics of benzene excimer formation from the parallel-displaced dimerCardozo, Thiago M.; Galliez, Andre P.; Borges, Itamar; Plasser, Felix; Aquino, Adelia J.; Barbatti, Mario; Lischka, Hans
2017Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysisNogueira, Juan J.; Plasser, Felix; Gonzalez, Leticia
2016Entanglement entropy of electronic excitationsPlasser, Felix
2017Evaluation of the quasi correlated tight-binding (QCTB) model for describing polyradical character in polycyclic hydrocarbonsLuzanov, Anatoliy V.; Plasser, Felix; Das, Anita; Lischka, Hans
2018Highly efficient surface hopping dynamics using a linear vibronic coupling model.Plasser, Felix; Gomez, Sandra; Menger, Maximilian F.S.J.; Mai, Sebastian; Gonzalez, Leticia
2018Interstate vibronic coupling constants between electronic excited states for complex moleculesFumanal, Maria; Plasser, Felix; Mai, Sebastian; Daniel, Chantal; Gindensperger, Etienne
2017Local electron correlation treatment in extended multireference calculations: Effect of acceptor-donor substituents on the biradical character of the polycyclic aromatic hydrocarbon heptazethreneDas, Anita; Muller, Thomas; Plasser, Felix; Krisiloff, David B.; Carter, Emily A.; Lischka, Hans
2018Multireference approaches for excited states of moleculesLischka, Hans; Nachtigallova, Dana; Aquino, Adelia J. A.; Szalay, Peter G.; Plasser, Felix; Machado, Francisco B.C.; Barbatti, Mario
2017Nonadiabatic dynamics of cycloparaphenylenes with TD-DFTB surface hoppingStojanovic, Ljiljana; Aziz, Saadullah G.; Hilal, Rifaat H.; Plasser, Felix; Niehaus, Thomas A.; Barbatti, Mario
2018Quantitative wave function analysis for excited states of transition metal complexesMai, Sebastian; Plasser, Felix; Dorn, Johann; Fumanal, Maria; Daniel, Chantal; Gonzalez, Leticia
2017Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction methodMai, Sebastian; Plasser, Felix; Pabst, Mathias; Neese, Frank; Kohn, Andreas; Gonzalez, Leticia
2018Surface hopping within an exciton picture. An electrostatic embedding schemeMenger, Maximilian F.S.J.; Plasser, Felix; Mennucci, Benedetta; Gonzalez, Leticia
2017Ultrafast electronic energy transfer in an orthogonal molecular dyadWiebeler, Christian; Plasser, Felix; Hedley, Gordon J.; Ruseckas, Arvydas; Samuel, Ifor D. W.; Schumacher, Stefan
Showing results 1 to 20 of 23