Noise-assisted energy transfer from the dilation of the set of one-electron reduced density matrices

Noise-assisted energy transfer from the dilation of the set of one-electron reduced density matrices
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来自一组单电子约简密度矩阵膨胀的噪声辅助能量转移

DOI:
10.1063/1.4982927
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发表时间:
2017
影响因子:
4.4
通讯作者:
D. Mazziotti
D. Mazziotti
中科院分区:
化学2区
文献类型:
--
作者:
Romit Chakraborty;D. Mazziotti

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噪声辅助能量转移可以用一组单电子约化密度矩阵 (1-RDM) [R. Chakraborty 和 D. A. Mazziotti,物理学家。修订版 A 91, 010101(R) (2015)]。在本文中,我们研究了七生色团 Fenna-Matthews-Olson (FMO) 复合物的量子噪声的几何图。噪声通过违反 1-RDM 上的纯态 N-可表示性条件(称为广义泡利约束),将可行的轨道占据轨迹集扩展到目标状态。虽然七电子系统的广义泡利约束没有明确已知,但我们能够通过对已知任意 p 的 p 个量子位使用广义泡利约束来处理 FMO 复合体的七激子模型。在模型中,我们发现,虽然单独的移相噪声会产生既不扩展 1-RDM 集合也不到达反应中心的系综态轨迹,但移相和耗散的包含会扩展......
Noise-assisted energy transfer can be explained geometrically in terms of the set of one-electron reduced density matrices (1-RDMs) [R. Chakraborty and D. A. Mazziotti, Phys. Rev. A 91, 010101(R) (2015)]. In this paper, we examine the geometric picture of quantum noise for the seven-chromophore Fenna-Matthews-Olson (FMO) complex. Noise expands the feasible set of orbital occupation trajectories to the target state through the violation of the pure-state N-representability conditions on the 1-RDM, known as the generalized Pauli constraints. While the generalized Pauli constraints are not explicitly known for seven-electron systems, we are able to treat a seven-exciton model of the FMO complex through the use of generalized Pauli constraints for p qubits which are known for arbitrary p. In the model, we find that while dephasing noise alone produces a trajectory of ensemble states that neither expands the set of 1-RDMs nor reaches the reaction center, the inclusion of both dephasing and dissipation expands ...
降密度矩阵泛函理论中的广义泡利约束
DOI: 10.1063/1.4918346
发表时间: 2015
期刊: The Journal of chemical physics
影响因子: --
作者:
I. Theophilou;N.N. Lathiotakis;M.A.L. Marques;N. Helbig
通讯作者: N. Helbig