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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...
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