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Showing 1 to 3 of 3 for “"Quantum-Classical Dynamics"”.
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Dynamical path integral calculations for condensed phase processes
As is well known, the computational effort in quantum mechanics grows exponentially with system size. Thus a typical computation of an interesting many-body problem quickly becomes prohibitive. In this work, we try to circumvent this exponential scaling by treating a few degrees of freedom …
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Non-adiabatic electron-ion dynamics in semiconductors under ionizing particle irradiation
… excitations near the defect affect the dynamics of atoms in the target material. To address the limit imposed by computational cost, we devise a new approach that bridges time scales from ultrafast electron dynamics directly after impact, to ion diffusion. Our results on neutral oxygen …