Search Results - "Papapostolou, Antonia"

Algebraic Diagrammatic Construction Schemes Employing the Intermediate State Formalism: Theory, Capabilities, and Interpretation by Dreuw, Andreas, Papapostolou, Antonia, Dempwolff, Adrian L.

“…Algebraic diagrammatic construction (ADC) schemes represent a family of ab initio methods for the calculation of excited electronic states and…”
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Cotton-Mouton Effect Using Algebraic Diagrammatic Construction Schemes in the Intermediate State Representation Formalism by Schneider, Friederike, Papapostolou, Antonia, Leitner, Jonas, Rehn, Dirk R., Dreuw, Andreas

“…The Cotton-Mouton effect is theoretically investigated for a selected set of molecules by using a novel computational methodology based on algebraic…”
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responsefun: Fun with Response Functions in the Algebraic Diagrammatic Construction Framework by Papapostolou, Antonia, Scheurer, Maximilian, Dreuw, Andreas, Rehn, Dirk R.

“…We present the open-source responsefun package, which implements a universally applicable procedure for computing molecular response properties within the…”
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Exceptionally High Two-Photon Absorption in Diazaacene-Bithiophene Derivatives: A Combined Experimental and Theoretical Approach by Sauter, Gabriel, Papapostolou, Antonia, Pollien, Audrey, Boschmann, Sergius, Fuchs, Kathleen, Freudenberg, Jan, Bunz, Uwe H. F, Dreuw, Andreas, Tegeder, Petra

“…This study delves into the enhancement of two-photon absorption (2PA) properties in diazaacene-bithiophene derivatives through a synergistic approach combining…”
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