2017
DOI: 10.1016/j.cpc.2017.06.018
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Efficient determination of the Markovian time-evolution towards a steady-state of a complex open quantum system

Abstract: Master equations are commonly used to describe time evolution of open systems. We introduce a general computationally efficient method for calculating a Markovian solution of the Nakajima-Zwanzig generalized master equation. We do so for a time-dependent transport of interacting electrons through a complex nano scale system in a photon cavity. The central system, described by 120 many-body states in a Fock space, is weakly coupled to the external leads. The efficiency of the approach allows us to place the bia… Show more

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Cited by 27 publications
(45 citation statements)
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“…[18] Subsequently, we apply vectorization [35] and Kronecker tensor products together with a Markovian approximation to transform the GME from the Fock space of many-body states to the Liouville space of transitions. [36,37] We include 128 Fock states in our transport calculations and thus end up with 16 384 transitions in the Liouville space. The increased space size is counteracted by efficient parallelization and GPU processing.…”
Section: Appendix B: Transport: Technical Detailsmentioning
confidence: 99%
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“…[18] Subsequently, we apply vectorization [35] and Kronecker tensor products together with a Markovian approximation to transform the GME from the Fock space of many-body states to the Liouville space of transitions. [36,37] We include 128 Fock states in our transport calculations and thus end up with 16 384 transitions in the Liouville space. The increased space size is counteracted by efficient parallelization and GPU processing.…”
Section: Appendix B: Transport: Technical Detailsmentioning
confidence: 99%
“…The increased space size is counteracted by efficient parallelization and GPU processing. [36] The weak photon dissipation is derived with a Markovian and rotating wave approximation, where the creation (annihilation) operator for the cavity photons needs to be rid of fast rotating annihilation(creation) terms when transformed to the fully interacting basis |̆) in order for vacuum processes to be correctly described in the model. [15,[38][39][40] Due to vectorization, [35] the Markovian master equation in Liouville space assumes the form of a simple linear first-order differential equation [36,41] t vec( S ) = −i vec( S )…”
Section: Appendix B: Transport: Technical Detailsmentioning
confidence: 99%
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“…The coupling to the leads depends on the geometry of the wavefunctions of the single‐electron states in the “contact area” of the leads and the central system defined to extend approximately aw into each subsystem. In terms of creation and annihilation operators of single‐electron states in the leads (cqlandcql) and the central system (dianddi) the coupling Hamiltonian is 0trueHT(t)=i,ldq0.28em{}Tqilcqldi+(Tqil)dicql,where the index q stands for the combined continuous lead momentum quantum number and a discrete subband index nl, i labels the single‐electron states in the central system, and Tqil is the state‐dependent coupling tensor with l={L,R}. The temperature of the electron reservoirs in the leads is T=0.5 K.…”
Section: Transportmentioning
confidence: 99%
“…Here, the effective density operator is χfalse(τfalse)= Tr res eiHτ/XρT(0)e+iHτ/,with H the Hamiltonian of the total system, ρT its density operator, and Tr res the trace operator with respect to the variables of the reservoir. In the Liouville space the solution of the Master equation is vec false(χ(τ)false)=scriptU[]expL diag τscriptV vec false(χ(0)false)and the two‐time average or the correlation function becomes false⟨X(τ)X(0)false⟩= Tr normalSXfalse(0false)χfalse(τfalse).Here, scriptL is an approximation of the Liouville operator of the total system, L diag is the complex diagonal matrix corresponding to it in the Liouville space of transitions, and scriptU is the matrix of its left eigenvectors, and scriptV the matrix of its right eigenvectors . Tr S is the trace operation with respect to the state space of the central system.…”
Section: Transportmentioning
confidence: 99%