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arXiv:0903.3288 · International Journal of Bifurcation and Chaos

CONTINUOUS-TIME QUANTUM WALKS AND TRAPPING

ELENA AGLIARI, OLIVER MÜLKEN, A. Blumen

Published Feb 1, 2010• 26 citations
arXivHTMLPDF

Abstract

Recent findings suggest that processes such as the excitonic energy transfer through the photosynthetic antenna display quantal features, aspects known from the dynamics of charge carriers along polymer backbones. Hence, in modeling energy transfer one has to leave the classical, master-equation-type formalism and advance towards an increasingly quantum-mechanical picture, while still retaining a local description of the complex network of molecules involved in the transport, say through a tight-binding approach. Interestingly, the continuous time random walk (CTRW) picture, widely employed in describing transport in random environments, can be mathematically reformulated to yield a quantum-mechanical Hamiltonian of tight-binding type; the procedure uses the mathematical analogies between time-evolution operators in statistical and in quantum mechanics: The result are continuous-time quantum walks (CTQWs). However, beyond these formal analogies, CTRWs and CTQWs display vastly different physical properties. In particular, here we focus on trapping processes on a ring and show, both analytically and numerically, that distinct configurations of traps (ranging from periodical to random) yield strongly different behaviors for the quantal mean survival probability, while classically (under ordered conditions) we always find an exponential decay at long times.

DOI
10.1142/s0218127410025715

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Recent findings suggest that processes such as the electronic energy transfer through the photosynthetic antenna display quantal features, aspects known from the dynamics of charge carriers along polymer backbones. Hence, in modeling energy transfer one has to leave the classical, masterequation-type formalism and advance towards an increasingly quantum-mechanical picture, while still retaining a local description of the complex network of molecules involved in the transport, say through a tight-binding approach. Interestingly, the continuous time random walk (CTRW) picture, widely employed in describing transport in random environments, can be mathematically reformulated to yield a quantummechanical Hamiltonian of tight-binding type; the procedure uses the mathematical analogies between time-evolution operators in statistical and in quantum mechanics: The result are continuoustime quantum walks (CTQWs). However, beyond these formal analogies, CTRWs and CTQWs display vastly different physical properties. In particular, here we focus on trapping processes on a ring and show, both analytically and numerically, that distinct configurations of traps (ranging from periodical to random) yield strongly different behaviours for the quantal mean survival probability, while classically (under ordered conditions) we always find an exponential decay at long times.
Continuous time quantum walks (CTQWs) do not necessarily perform better than their classical counterparts, the continuous time random walks (CTRWs). For one special graph, where a recent analysis showed that in a particular direction of propagation the penetration of the graph is faster by CTQWs than by CTRWs, we demonstrate that in another direction of propagation the opposite is true. In this case a CTQW initially localized at one site displays a slow transport. We furthermore show that when the CTQW's initial condition is a totally symmetric superposition of states of equivalent sites, the transport gets to be much more rapid.
In the quest for signatures of coherent transport we consider exciton trapping in the continuous-time quantum walk framework. The survival probability displays different decay domains, related to distinct regions of the spectrum of the Hamiltonian. For linear systems and at intermediate times the decay obeys a power law, in contrast with the corresponding exponential decay found in incoherent continuous-time random walk situations. To differentiate between the coherent and incoherent mechanisms, we present an experimental protocol based on a frozen Rydberg gas structured by optical dipole traps.
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We study the coherent exciton transport of continuous-time quantum walks (CTQWs) on Erdos-Renyi networks. The Erdos-Renyi network of N nodes is constructed by connecting every pair of nodes with probability ppp. We numerically calculate the ensemble averaged transition probability of quantum transport between two nodes of the networks. For finite networks, we find that the limiting transition probability is reached very quickly. For infinite networks whose spectral density follows the semicircle law, the efficiencies of the classical and quantum-mechanical transport are compared on networks of different average degree. In the long time limiting, we consider the distribution of the ensemble averaged transition probabilities, and show that there is a high probability to find the exciton at the initial node. Such high return probability almost do not alter in a wide range of connection probability p but increases rapidly when the network approaches to be fully connected. For networks whose topology is not extremely connected, the return probability is inversely proportional to the network size N. Furthermore, the transport dynamics are compared with that on a random graph model in which the degree of each node equals to the average degree of the Erdos-Renyi networks.
We consider the quantum mechanical transport of (coherent) excitons on small-world networks (SWNs). The SWNs are built from a one-dimensional ring of N nodes by randomly introducing B additional bonds between them. The exciton dynamics is modeled by continuous-time quantum walks, and we evaluate numerically the ensemble-averaged transition probability to reach any node of the network from the initially excited one. For sufficiently large B we find that the quantum mechanical transport through the SWNs is, first, very fast, given that the limiting value of the transition probability is reached very quickly, and second, that the transport does not lead to equipartition, given that on average the exciton is most likely to be found at the initial node.