Polaronic quantum master equation theory of inelastic and coherent resonance energy transfer for soft systems.
Polaronic quantum master equation theory of inelastic and coherent resonance energy transfer for soft systems.
复制标题
软系统非弹性和相干共振能量转移的极化子量子主方程理论。
DOI：
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发表时间：
2012
影响因子：
4.4
通讯作者：
Seogjoo J. Jang
中科院分区：
文献类型：
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作者：
Lei Yang;M. Devi;Seogjoo J. Jang
这项工作扩展了相干共振能量传递理论[S]。Jang， J. Chem。[j] .光子学报，2003,16 (6):555 - 557 .]利用极化子图像中的二阶时间局域量子主方程，在调制电子耦合的槽自由度与其他模无关的假设下，导出了系统密度算子的一般时间演化方程。在此基础上，推导了三种特定的距离、轴角和二面角调制模型的量子力学弛豫算子和非齐次项的详细表达式，这些模型都是用谐振子近似的。对一组模型参数进行了数值试验。模型计算表明，扭转调制对弛豫和减相机制有重要贡献。
This work extends the theory of coherent resonance energy transfer [S. Jang, J. Chem. Phys. 131, 164101 (2009)] by including quantum mechanical inelastic effects due to modulation of donor-acceptor electronic coupling. Within the approach of the second order time local quantum master equation (QME) in the polaron picture and under the assumption that the bath degrees of freedom modulating the electronic coupling are independent of other modes, a general time evolution equation for the reduced system density operator is derived. Detailed expressions for the relaxation operators and inhomogeneous terms of the QME are then derived for three specific models of modulation in distance, axial angle, and dihedral angle, which are all approximated by harmonic oscillators. Numerical tests are conducted for a set of model parameters. Model calculation shows that the torsional modulation can make significant contribution to the relaxation and dephasing mechanisms.
影响因子：
4.4
作者：
Kolli, Avinash;Nazir, Ahsan;Olaya-Castro, Alexandra
通讯作者：
Olaya-Castro, Alexandra
影响因子：
3.3
作者：
Olbrich, Carsten;Jansen, Thomas L. C.;Liebers, Joerg;Aghtar, Mortaza;Struempfer, Johan;Schulten, Klaus;Knoester, Jasper;Kleinekathoefer, Ulrich
通讯作者：
Kleinekathoefer, Ulrich