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The Journal of Physical Chemistry. B|March 11, 2026
Dichotomous Initial Exciton Conversion at a DPP2Py2T-PCBM Interface: Insights from Embedded <i>GW</i>-Bethe-Salpeter Equation CalculationsVivek Sundaram, Björn BaumeierJournal of Chemical Theory and Computation|February 25, 2017
Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many-Body Green's Functions TheoryJens Wehner, Björn BaumeierJournal of Chemical Theory and Computation|July 27, 2021
Machine Learning of Quasiparticle Energies in Molecules and ClustersOnur Çaylak, Björn BaumeierJournal of Chemical Theory and Computation|January 5, 2021
Excited-State Geometry Optimization of Small Molecules with Many-Body Green's Functions TheoryOnur Çaylak, Björn BaumeierJournal of Chemical Theory and Computation|June 25, 2024
Quantum-Quantum and Quantum-Quantum-Classical Schemes for Near-Gap Excitations with Projection-Based-Embedded <i>GW</i>-Bethe-Salpeter EquationVivek Sundaram, Björn BaumeierJournal of Chemical Theory and Computation|May 21, 2024
Electronic Couplings and Conversion Dynamics between Localized and Charge Transfer Excitations from Many-Body Green's Functions TheoryGianluca Tirimbò, Björn BaumeierJournal of Chemical Theory and Computation|February 13, 2019
Evolutionary Approach to Constructing a Deep Feedforward Neural Network for Prediction of Electronic Coupling Elements in Molecular MaterialsOnur Çaylak, Anil Yaman, Björn BaumeierJournal of Chemical Theory and Computation|November 24, 2015
Frenkel and Charge-Transfer Excitations in Donor-acceptor Complexes from Many-Body Green's Functions TheoryBjörn Baumeier, Denis Andrienko, Michael RohlfingPhysical Chemistry Chemical Physics : PCCP|August 7, 2010
Density-functional based determination of intermolecular charge transfer properties for large-scale morphologiesBjörn Baumeier, James Kirkpatrick, Denis AndrienkoPhysical Chemistry Chemical Physics : PCCP|July 26, 2016
Getting excited: challenges in quantum-classical studies of excitons in polymeric systemsBehnaz Bagheri, Björn Baumeier, Mikko KarttunenPageof 4