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Applications of DECIDE Quantum-Classical Dynamics: Proton Transfer and Quantum Battery Models
DownloadSpring 2022
The quantum-classical Liouville equation (QCLE) provides a foundation for simulating the dynamics of quantum systems coupled to classical environments. Many processes including proton-transfer reactions, electron-transfer reactions, and heat transport in molecular junctions, for example, take...
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Testing the Limits of Approximate Solutions of the Quantum-Classical Liouville Equation for Modelling Quantum Processes Occurring in Condensed Phase Environments
DownloadFall 2018
Many methods exist for simulating the nonadiabatic dynamics of mixed quantum-classical systems, some of which are more accurate than others. Some of the most accurate methods are based on solving the quantum-classical Liouville equation (QCLE) represented in the adiabatic basis, in terms of an...