28 citations · 28 across the 1 of their papers we have counts for
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Simulating vibronic spectra via Matsubara dynamics: coping with the sign problem
Sven Karsten, Sergei D. Ivanov, Sergey I. Bokarev +1
Measuring the vibronic spectrum probes dynamical processes in molecular systems. When interpreted via suitable theoretical tools, the experimental data provides comprehensive infor…
Herman-Kluk propagator is free from zero-point energy leakage
Max Buchholz, Erika Fallacara, Fabian Gottwald +3
Semiclassical techniques constitute a promising route to approximate quantum dynamics based on classical trajectories starting from a quantum-mechanically correct distribution. One…
On Computing Spectral Densities from Classical, Semiclassical and Quantum Simulations
Fabian Gottwald, Sergei D. Ivanov, Oliver Kühn
The Caldeira-Leggett model provides a compact characterization of a thermal environment in terms of a spectral density function. This simplicity has led to a variety of numerically…
Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations
Fabian Gottwald, Sven Karsten, Sergei D. Ivanov +1
Fundamental understanding of complex dynamics in many-particle systems on the atomistic level is of utmost importance. Often the systems of interest are of macroscopic size but can…