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International Journal of Modern Physics C

Transparent boundary conditions for discretized non-Hermitian eigenvalue problems

Jonathan Heinz, Miroslav Kolesik

Published Jun 7, 2021• 2 citations
Publisher

Abstract

A method is presented for transparent, energy-dependent boundary conditions for open, non-Hermitian systems, and is illustrated on an example of Stark resonances in a single-particle quantum system. The approach provides an alternative to external complex scaling, and is applicable when asymptotic solutions can be characterized at large distances from the origin. Its main benefit consists in a drastic reduction of the dimesnionality of the underlying eigenvalue problem. Besides application to quantum mechanics, the method can be used in other contexts such as in systems involving unstable optical cavities and lossy waveguides.

DOI
10.1142/s0129183121501382

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A method is presented for transparent, energy-dependent boundary conditions for open, non-Hermitian systems, and is illustrated on an example of Stark resonances in a single-particle quantum system. The approach provides an alternative to external complex scaling, and is applicable when asymptotic solutions can be characterized at large distances from the origin. Its main benefit consists in a drastic reduction of the dimesnionality of the underlying eigenvalue problem. Besides application to quantum mechanics, the method can be used in other contexts such as in systems involving unstable optical cavities and lossy waveguides.
Many systems of interest at the forefront of technological development, for example, in quantum computation, consist of weakly interacting elements that obey quantum mechanics. A challenge for modern theoretical physics is to develop a systematic methodology for approaching these “open” quantum systems. In particular, applied mathematicians have formulated the method of transparent boundary conditions (TBCs) to model interacting quantum systems of infinite extent. Here, we consider a particular application of TBCs to the escape of a particle from a one-dimensional infinite well when one of the bounding barriers is extinguished. We analytically obtain the exact time-dependent wave function by a Green's function method and then show that a numerical solution based on the TBC method is in excellent agreement. This work was motivated by an experiment carried out at the University of Texas on escape from a gravitational wedge billiard. Physicists have used billiards to understand and explore both classical and quantum chaos. Although the original experiment was carried out in the classical regime, current work is probing lower temperatures, where a quantum mechanical formulation is required.
The non-Hermitian skin effect, namely, that the eigenvalues and eigenstates of a non-Hermitian tight-binding Hamiltonian have significant differences under open or periodic boundary conditions, is a remarkable phenomenon of non-Hermitian systems. Inspired by the presence of the non-Hermitian skin effect, we study the evolution of wave packets in non-Hermitian systems, which can be determined using the single-particle Green's function. Surprisingly, we find that in the thermodynamic limit, the Green's function does not depend on boundary conditions, despite the presence of skin effect. We provide a general proof for this statement in arbitrary dimension with finite hopping range, with an explicit illustration in the non-Hermitian Su-Schrieffer-Heeger model. We also explore its applications in noninteracting open quantum systems described by the master equation. We demonstrate that the evolution of the density matrix is independent of the boundary condition.
We review analyses of open quantum systems. We show how non-Hermiticity arises in an open quantum system with an infinite environment, focusing on the one-body problem. One of the reasons for taking the present approach is that we can solve the problem completely, making it easier to see the structures of problems involving open quantum systems. We show that this results in the discovery of a new complete set, which is one of the main topics of the present article. Another reason for focusing on the one-body problem is that the theory permits the strong coupling between the system and the environment. In the current research landscape, it is valuable to revisit the one-body problem for open quantum systems, which can be solved accurately for arbitrary strengths of the system-environment couplings. A rigorous understanding of the problem structures in the present approach will be helpful when we tackle problems with many-body interactions. First, we consider potential scattering and directly define the resonant state as an eigenstate of the Schrödinger equation under the Siegert outgoing boundary condition. We show that the resonant eigenstate can have a complex energy eigenvalue, even though the Hamiltonian is seemingly Hermitian. Second, we introduce the Feshbach formalism, which eliminates the infinite degrees of freedom of the environment and represents its effect as a complex potential. The resulting effective Hamiltonian is explicitly non-Hermitian. By unifying these two ways of defining resonant states, we obtain a new complete set of bases for the scattering problem that contains all discrete eigenstates, including resonant states. We finally mention the non-Markovian dynamics of open quantum systems. We emphasize the time-reversal symmetry of the dynamics that continuously connects the past and the future. We can capture it using the new complete set that we develop here.
The Hermitian properties of the Hamiltonian are related not only to the operator itself but also to the functions on which it acts. Hermitian Hamiltonians operate on functions in the L 2 Hilbert space which correspond to boundary conditions which vanish at infinity. In this chapter, in order to move into the non-Hermitian domain, we will impose on the solutions to the time-independent Schrödinger equation (TISE) different boundary conditions which lead to solutions which can be associated with different types of the complex poles of the scattering matrix. These solutions will contain information which was not available within the scope of functions in L 2 . By imposing outgoing boundary conditions on the eigenfunctions of the timeindependent Hamiltonian complex eigenvalues, E res = ε − (i/2)Г, are obtained. These complex energies are associated with decaying resonance states which were discussed in the previous two chapters. The bound states (if they exist) appear as real eigenvalues since they result from exactly such outgoing boundary conditions which appear under the threshold energy. When incoming boundary conditions are imposed two kind of solution are obtained. One type of solution is the complex conjugates of the decay resonance solutions mentioned above. In scattering theory text books (see Taylor for example) the physical resonance solutions are associated with the poles of the scattering matrix which are embedded in the lower half of the complex energy plane. However, in nuclear physics the complex poles embedded in the upper half of the complex energy plane, so-called virtual states , are denoted as capture resonances .
In general, the energy spectrum of a non-Hermitian system turns out to be complex, which is not very satisfactory since the time evolution of eigenstates with complex eigenvalues is either exponentially growing or decaying. Here, we provide a sufficient and necessary condition of the real spectrum under open boundary conditions for one-dimensional non-Hermitian tight-binding Hamiltonians. The necessity is directly related to the fact that the generalized Brillouin zone in one dimension is a closed loop whose origin is in its interior. We also establish the sufficiency by analytically determining when the preimage of the characteristic polynomial contains a loop and showing that this loop is just the generalized Brillouin zone itself, using some simple models first and then general one-band models. We demonstrate our conclusions on various non-Hermitian model examples with longer-range hopping. Our results indicate that real spectra are more common than one may have expected in non-Hermitian systems and are helpful for designing non-Hermitian models with real spectra.
As has been shown long time ago by Feshbach, the exact energy spectrum of the full problem can be obtained by solving two different self-energy problems. In spite of the fact that the two effective Hamiltonians are derived in very similar ways in one case, the exact energy spectrum of the full problem can be either real or complex (depending on the boundary conditions), whereas the exact energy spectrum associated with the second effective Hamiltonian has to be complex (excluding bound states in the continuum). The focus of this paper is on the fact that in both cases the complex eigenvalues result from the same requirement of an out-going boundary condition. The branching of quantum mechanics to standard (Hermitian) formalism and non-Hermitian formalism is associated with the decision to express the exact energy spectrum with one of the two possible self-consistent like problems where the use of the Green operator imposes an outgoing boundary condition on the solutions of the time-independent Schrodinger equation. Our analysis is made for the case where an ABC molecule has sufficient energy to dissociate to A + BC but not to A + B + C and not to AB + C or to AC + B.