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The European Physical Journal B

Energy-transfer and quantum trajectories in quasi-molecular networks

C.M. Granzow, Ariel Liebman, G. Mahler

Published Apr 1, 1998• 5 citations
Publisher
DOI
10.1007/s100510050233

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Second-harmonic generation in the no-energy-transfer regime can be a source of quasi-stationary sub-Poissonian light as was recently shown by Bajer et al ( Bajer J, Haderka O and Perina J 1999 J. Opt. B: Quantum Semiclass. Opt. 1 529 ). We generalize their results for higher-harmonic generation by applying the numerical method of Hamiltonian diagonalization and the analytical semiclassical description of classical trajectories. The quasi-stationary behaviour of the sub-Poissonian photocount noise in the no-energy-transfer regime is explained. An approximate formula for the Fano factor is derived for arbitrary harmonics. It is predicted that the deepest quasi-stationary reduction of photocount noise in the no-energy-transfer regime is achieved in the third-harmonic generation.
Abstract Simulating charge and energy transfer in extended molecular networks requires an effective model to include the environment because it significantly affects the quantum dynamics. A prototypical effect known as environment-assisted quantum transport (ENAQT) consists in the enhancement of the transfer efficiency by the interaction with an environment. A simple description of this phenomenon is obtained by a quantum master equation describing a quantum walk over the molecular network in the presence of inter-site decoherence. We consider the problem of simulating the dynamics underlying ENAQT in a digital quantum computer. Two different quantum algorithms are introduced, the first one based on stochastic Hamiltonians and the second one based on a collision scheme. We test both algorithms by simulating ENAQT in a small molecular network on a quantum computer emulator and provide a comparative analysis of the two approaches. Both algorithms can be implemented in a memory efficient encoding with the number of required qubits scaling logarithmically with the size of the simulated system while the number of gates increases quadratically. We discuss the algorithmic quantum trajectories generated by the two simulation strategies showing that they realize distinct unravellings of the site-dephasing master equation. In our approach, the non-unitary dynamics of the open system is obtained through effective representations of the environment, paving the way to digital quantum simulations of quantum transport influenced by structured environments.