Browsing Faculty of Arts and Sciences by Keyword "Boltzmann equations"
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On the Alternatives for Bath Correlators and Spectral Densities from Mixed Quantum-Classical Simulations
(American Institute of Physics, 2012)We investigate on the procedure of extracting a “spectral density” from mixed QM/MM calculations and employing it in open quantum systems models. In particular, we study the connection between the energy gap correlation ...