Kinetic Schemes in Open Interacting Systems
Kinetic Schemes in Open Interacting Systems
复制标题
开放交互系统中的动力学方案
DOI：
10.1021/acs.jpclett.8b01886
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发表时间：
2018
期刊：
影响因子：
--
通讯作者：
Galperin, Michael
中科院分区：
文献类型：
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作者：
Nitzan, Abraham;Galperin, Michael
我们讨论利用动力学方案来描述开放相互作用系统，重点关注与非平衡电子浴耦合的振荡器的振动能量弛豫。在系统和浴之间时间尺度分离的假设下，获得了具有恒定速率系数的标准动力学方程，其中浴动力学比感兴趣的系统快得多。这种假设在某些限制下可能会失效，我们表明忽略这一点可能会导致质量上错误的预测。证明了与更一般的非平衡格林函数 (NEGF) 分析的联系。我们的考虑在具有电子振动耦合的通用分子结模型中得到说明。
We discuss utilization of kinetic schemes for description of open interacting systems, focusing on vibrational energy relaxation for an oscillator coupled to a nonequilibirum electronic bath. Standard kinetic equations with constant rate coefficients are obtained under the assumption of time scale separation between the system and bath, with the bath dynamics much faster than that of the system of interest. This assumption may break down in certain limits, and we show that ignoring this may lead to qualitatively wrong predictions. Connection with more general, nonequilibrium Green’s function (NEGF) analysis is demonstrated. Our considerations are illustrated within generic molecular junction models with electron–vibration coupling.