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• W1973259535 abstract "A modification of the hybrid quantum/classical mean-field or Ehrenfest method is proposed which allows us to reproduce the Boltzmann quantum state populations when simulating the vibrational energy transfer between quantum systems and classical thermal baths. The modified Ehrenfest results are shown to be able to simulate the energy fluxes between the solute vibration and the classical solvent in the proper directions, depending on their relative temperatures." @default.
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• W1973259535 date "2006-01-01" @default.
• W1973259535 modified "2023-10-16" @default.
• W1973259535 title "A modified Ehrenfest method that achieves Boltzmann quantum state populations" @default.
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• W1973259535 doi "https://doi.org/10.1016/j.cplett.2005.10.008" @default.
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