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arXiv:1006.4507 · Journal of Mathematical Physics

Exact mapping between system-reservoir quantum models and semi-infinite discrete chains using orthogonal polynomials

Alex W. Chin, Ángel Rivas, Susana F. Huelga, Martin Bodo Plenio

Published Sep 1, 2010• 320 citations
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Abstract

By using the properties of orthogonal polynomials, we present an exact unitary transformation that maps the Hamiltonian of a quantum system coupled linearly to a continuum of bosonic or fermionic modes to a Hamiltonian that describes a one-dimensional chain with only nearest-neighbor interactions. This analytical transformation predicts a simple set of relations between the parameters of the chain and the recurrence coefficients of the orthogonal polynomials used in the transformation and allows the chain parameters to be computed using numerically stable algorithms that have been developed to compute recurrence coefficients. We then prove some general properties of this chain system for a wide range of spectral functions and give examples drawn from physical systems where exact analytic expressions for the chain properties can be obtained. Crucially, the short-range interactions of the effective chain system permit these open-quantum systems to be efficiently simulated by the density matrix renormalization group methods.

DOI
10.1063/1.3490188

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AIP conference proceedings•Jan 1, 2010•0 citations
By using the properties of orthogonal polynomials, we present an exact unitary transformation that maps the Hamiltonian of a quantum system coupled linearly to a continuum of bosonic or fermionic modes to a Hamiltonian that describes a one-dimensional chain with only nearest-neighbor interactions. This analytical transformation predicts a simple set of relations between the parameters of the chain and the recurrence coefficients of the orthogonal polynomials used in the transformation and allows the chain parameters to be computed using numerically stable algorithms that have been developed to compute recurrence coefficients. We then prove some general properties of this chain system for a wide range of spectral functions and give examples drawn from physical systems where exact analytic expressions for the chain properties can be obtained. Crucially, the short-range interactions of the effective chain system permit these open-quantum systems to be efficiently simulated by the density matrix renormalization group methods.
This chapter gives a self-contained review of the how standard open quantum system Hamiltonians can be mapped analytically onto representations in which the environments appear as one dimensional harmonic chains with nearest neighbour interactions. This mapping, carried out rigorously using orthogonal polynomial theory, then allows the full evolution of the system and environment to be simulated using time-adaptive density matrix renormalisation group methods. With the combination of these two techniques, numerically-exact results can be obtained for dissipative quantum systems in the presence of arbitrarily complex environmental spectral functions, and the correlations and processes in the environment which drive the effectively irreversible dynamics of the reduced state of the quantum system can be explored in real time. The chain representation also reveals a number of universal features of harmonic environments characterised by a spectral density which are discussed here.
We transform the system/reservoir coupling model into a one-dimensional semi-infinite discrete chain with nearest neighbor interaction through a unitary transformation, and, simulate the dynamics of free dissipative open quantum system. We investigate the consequences of such modeling, which is observed as finite size effect causing the recurrence of particle from the end of the chain. Afterwards, we determine a formula for π in terms of the matrix operational form, which indicates a robustness of the connection between quantum physics and basic mathematics.
This thesis is concerned with the study of quantum systems coupled linearly to a continuous bath of oscillators examples of which are the spin-boson model and the Nelson model. The main theme throughout is to develop a better understanding of the properties of the bath of oscillators such that more efficient representations of it can be made to facilitate the understanding of the system dynamics. The main difficulty in simulating the system dynamics is that the bath of oscillators composes an infinite number of degrees of freedom. In this thesis, we investigate the mathematical properties of an approach in which the bath modes are written as a semi-infinite chain of nearest neighbour interacting harmonic oscillators such that the efficient time dependent density-matrix renormalisation group (t-DMRG) methods can be applied for simulation. In the first section, we show how there are many different ways to represent the bath as semiinfinite chains and prove that seemingly unrelated methods can all be achieved using the same mathematical formalism. We show that in an iterative process the bath can be transformed into a chain of oscillators with nearest neighbour interactions. This is achieved using the formalism of orthogonal polynomials. This allows one to define a sequence of residual spectral densities at each site along the chain. We show that this sequence of residual spectral densities is provided by the so-called ”sequence of secondary measures”. We derive a systematic procedure to obtain the spectral density of the residual bath in each step. We find that these residual spectral densities are related to an old abstract problem in mathematics known as the ”secondary measures”. We solve this problem from the field of orthogonal polynomials to give an explicit expression for the residual spectral densities and go on to prove that these functions converge under very general conditions. That is, the asymptotic part of the chain is universal, translation invariant with universal spectral density. These results suggest efficient methods for handling the numerical treatment of the residual bath. In the second section, we take a different approach. Rather than studying the properties of residual baths, we look at how system observables are affected by truncating the semi-infinite chain of harmonic oscillators to a finite length chain. By developing locality bounds for the dynamics, we derive an upper bound to the error introduced by such a truncation and show that for all finite times it can be made arbitrarily small by including a sufficient number of harmonic oscillators 3 before truncating. Furthermore, it is shown that the speed at which the system communicates with different harmonic oscillators in the chain is proportional to the maximum frequency of the environment but that this speed also depends on the particular version of the chain. These bounds are given for when the dynamics are calculated in the Interaction picture and in the Schrodinger picture.
It is challenging to simulate open quantum systems that are connected to a reservoir through multiple channels. For example, vibrations may induce fluctuations in both energy gaps and electronic couplings, which represent two independent channels of system-bath couplings. Systems of this kind are ubiquitous in the processes of excited state radiationless decay. Combined with density matrix renormalization group (DMRG) and matrix product states (MPS) methods, we develop an interaction-picture chain mapping strategy for vibrational reservoirs to simulate the dynamics of these open systems, resulting in time-dependent spatially local system-bath couplings in the chain-mapped Hamiltonian. This transformation causes the entanglement generated by the system-bath interactions to be restricted within a narrow frequency window of vibrational modes, enabling efficient DMRG/MPS dynamical simulations. We demonstrate the utility of this approach by simulating singlet fission dynamics using a generalized spin-boson Hamiltonian with both diagonal and off-diagonal system-bath couplings. This approach generalizes an earlier interaction-picture chain mapping scheme, allowing for efficient and exact simulation of systems with multi-channel system-bath couplings using matrix product states, which may further our understanding of nonlocal exciton-phonon couplings in exciton transport and the non-Condon effect in energy and electron transfer.
In studying open quantum systems, the environment is often approximated as a collection of non-interacting harmonic oscillators, a configuration also known as the star-bath model. It is also well known that the star-bath can be transformed into a nearest-neighbor interacting chain of oscillators. The chain-bath model has been widely used in renormalization group approaches. The transformation can be obtained by recursion relations or orthogonal polynomials. Based on a simple linear algebraic approach, we propose a bath partition strategy to reduce the system-bath coupling strength. As a result, the non-interacting star-bath is transformed into a set of weakly coupled multiple parallel chains. The transformed bath model allows complex problems to be practically implemented on quantum simulators, and it can also be employed in various numerical simulations of open quantum dynamics.
Quantum systems consisting of a linear chain of n harmonic oscillators coupled by a quadratic nearest‐neighbour interaction are considered. We investigate when such a system is analytically solvable, in the sense that the eigenvalues and eigenvectors of the interaction matrix have analytically closed expressions. This leads to a relation with Jacobi matrices of systems of discrete orthogonal polynomials. Our study is first performed in the case of canonical quantization. Then we consider these systems under Wigner quantization, leading to solutions in terms of representations of Lie superalgebras. Finally, we show how such analytically solvable Hamiltonians also play a role in another application, that of spin chains used as communication channels in quantum computing. In this context, the analytic solvability leads to closed form expressions for certain transition amplitudes.