ArticleJournal of chemical theory and computation2026
Time-Dependent Open-Quantum Approach to Two-Dimensional Electronic Spectroscopy within a GW/BSE Active Space.
Article in Journal of chemical theory and computation, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
In this work, we present a theoretical and computational approach that combines real-time propagation of the electronic wave function, the GW/BSE formalism for the electronic structure of ground and excited states, the theory of open quantum systems, and the phase-cycling method to compute two-dimensional electronic spectra (2DES) of molecular systems under realistic excitation conditions. The advantage of this strategy is that it combines the accuracy of first-principle calculations such as GW/BSE with an explicit description of the employed laser pulses. This allows for better adherence to experimental setups. We apply the proposed methodology to benzene, chlorophyll
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