Accurate Long-Time Mixed Quantum-Classical Liouville Dynamics via the Transfer Tensor Method

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• 作者：Alexei A. Kananenka ; Chang-Yu Hsieh ; Jianshu Cao ; Eitan Geva
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2016
• 出版时间：December 1, 2016
• 年：2016
• 卷：7
• 期：23
• 页码：4809-4814
• 全文大小：408K
• ISSN：1948-7185

文摘

In this Letter, we combine the recently introduced transfer tensor method with the mixed quantum-classical Liouville method. The resulting protocol provides an accurate, general, flexible and robust new route for simulating the reduced dynamics of the quantum subsystem for arbitrarily long times, starting with computationally feasible short-time mixed quantum-classical Liouville dynamical maps. The accuracy and feasibility of the methodology are demonstrated on a spin-boson benchmark model.