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The Journal of Physical Chemistry Letters|January 6, 2023
Information Theoretical Approach to Coupled Electron-Nuclear Wave Packet Dynamics: Time-Dependent Differential Shannon EntropiesPeter Schürger, Volker EngelEntropy (Basel, Switzerland)|July 29, 2023
Differential Shannon Entropies Characterizing Electron-Nuclear Dynamics and Correlation: Momentum-Space Versus Coordinate-Space Wave Packet MotionPeter Schürger, Volker EngelPhysical Chemistry Chemical Physics : PCCP|October 16, 2023
Differential Shannon entropies and correlation measures for Born-Oppenheimer electron-nuclear dynamics: numerical results and their analytical interpretationPeter Schürger, Volker EngelThe Journal of Chemical Physics|March 14, 2025
Assessing the performance of coupled-trajectory schemes on full-dimensional two-state linear vibronic coupling modelsPeter Schürger, Lea M Ibele, David Lauvergnat, et al.The Journal of Chemical Physics|February 9, 2022
Wave packet dynamics in an harmonic potential disturbed by disorder: Entropy, uncertainty, and vibrational revivalsPeter Schürger, Thomas Schaupp, Dustin Kaiser, et al.Journal of Chemical Theory and Computation|February 23, 2026
A Coupled-Trajectory Strategy for Decoherence, Frustrated Hops and Internal Consistency in Surface HoppingLea M Ibele, Eduarda Sangiogo Gil, Peter Schürger, et al.The Journal of Physical Chemistry. A|July 15, 2025
Roadmap for Molecular Benchmarks in Nonadiabatic DynamicsLéon L E Cigrang, Basile F E Curchod, Rebecca A Ingle, et al.Pageof 1