84 citations · 1.1k across the 49 of their papers we have counts for
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physics.chem-ph2012★ 3 cited
Role of the sampling weight in evaluating classical time autocorrelation functions
Tomas Zimmermann, Jiri Vanicek
We analyze how the choice of the sampling weight affects the efficiency of the Monte Carlo evaluation of classical time autocorrelation functions. Assuming uncorrelated sampling or…
physics.chem-ph2012★ 17 cited
Evaluation of the importance of spin-orbit couplings in the nonadiabatic quantum dynamics with quantum fidelity and with its efficient "on-the-fly" ab initio semiclassical approximation
Tomas Zimmermann, Jiri Vanicek
We propose to measure the importance of spin-orbit couplings (SOCs) in the nonadiabatic molecular quantum dynamics rigorously with quantum fidelity. To make the criterion practical…