Abstract Nonlocal modeling has drawn more and more attention and becomes steadily more powerful in scientific computing. In this paper, we demonstrate the superiority of a first-principle nonlocal model — Wigner function — in treating singular potentials which are often used to model the interaction between point charges in quantum science. The nonlocal nature of the Wigner equation is fully exploited to convert the singular potential into the Wigner kernel with weak or even no singularity, and thus highly accurate numerical approximations are achievable, which are hardly designed when the singular potential is taken into account in the local Schrödinger equation. The Dirac delta function, the logarithmic, and the inverse power potentials are considered. Numerically converged Wigner functions under all these singular potentials are obtained with an operator splitting spectral method, and display many interesting quantum behaviors as well. 2020 Mathematics Subject Classification: 81S30; 45K05; 35Q40; 65M70; 35S05
Abstract Nonlocal modeling has drawn more and more attention and becomes steadily more powerful in scientific computing. In this paper, we demonstrate the superiority of a first-principle nonlocal model — Wigner function — in treating singular potentials which are often used to model the interaction between point charges in quantum science. The nonlocal nature of the Wigner equation is fully exploited to convert the singular potential into the Wigner kernel with weak or even no singularity, and thus highly accurate numerical approximations are achievable, which are hardly designed when the singular potential is taken into account in the local Schrödinger equation. The Dirac delta function, the logarithmic, and the inverse power potentials are considered. Numerically converged Wigner functions under all these singular potentials are obtained with an operator splitting spectral method, and display many interesting quantum behaviors as well. 2020 Mathematics Subject Classification: 81S30; 45K05; 35Q40; 65M70; 35S05
This issue comprises two dozen research papers which are all in one sense or another devoted to models in which the interaction is singular and sharply localized; a typical example is a quantum particle interacting with a family of δ-type potentials. Such an idealization usually makes analysis of their properties considerably easier, sometimes allowing us to reduce it to a simple algebraic problem—this is why one speaks about solvable models. The subject can be traced back to the early days of quantum mechanics; however, the progress in this field was slow and uneven until the 1960s, mostly because singular interactions are often difficult to deal with mathematically and intuitive arguments do not work. After overcoming the initial difficulties the `classical' theory of point interactions was developed, and finally summarized in 1988 in a monograph by Albeverio, Gesztesy, Høegh-Krohn, and Holden, which you will find quoted in numerous places within this issue. A reliable way to judge theories is to observe the progress they make within one or two decades. In this case there is no doubt that the field has witnessed a continuous development and covered areas which nobody had thought of when the subject first emerged. The reader may see it in the second edition of the aforementioned book which was published by AMS Chelsea only recently and contained a brief survey of these new achievements. It is no coincidence that this topical issue appears at the same time; it has been conceived as its counterpart and a forum at which fresh results in the field can demonstrated. Let us briefly survey the contents of the issue. While the papers included have in common the basic subject, they represent a broad spectrum philosophically as well as technically, and any attempt to classify them is somewhat futile. Nevertheless, we will divide them into a few groups. The first comprises contributions directly related to the usual point-interaction ideology. M Correggi and one of the editors study a toy model of a decay under the influence of a time-periodic δ potential. E Demiralp describes the spectrum of a spherical harmonic oscillator amended with a concentric family of δ-shell interactions. Another of the editors presents an isoperimetric problem for point interactions arranged at vertices of a polygon. W Huddell and R Hughes show how singular perturbations of a one-dimensional Dirac operator can be approximated by regular potentials, and J Brasche constructs a family of Hamiltonians in which the singular interaction has a more complicated support, namely a Brownian path. Finally, B Pavlov and I Antoniou apply the singular perturbation technique to another classical Hamiltonian, that of a generalized Friedrichs model; no matter that the unperturbed observable is called momentum in their paper. The three papers in the following group are distinguished by the fact that they consider systems which are fully or partially periodic. F Bentosela and M Tater analyse scattering on a crystalline `slab' modelled by point interactions distributed periodically on a finite number of parallel plates. E de Prunelé studies evolution of wavepackets in crystal models of different geometries, and M Avdonin et al discuss a simple model of a spin-dependent scattering on a one-dimensional array of quantum dots. The next group of papers is devoted to a topic which was untouched at the time of the aforementioned first edition, namely quantum graphs, which became a subject of interest after numerous applications of such systems to semiconductor, carbon and other nanostructures. Most contributions here deal with the `usual' model in which the Hamiltonian is a Schrödinger operator supported by the graph. P Kuchment describes spectral properties of such graphs, in particular periodic ones and those with decorations. S Albeverio and K Pankrashkin present a modification of Krein's formula which is suitable for constructing Hamiltonians of quantum graphs using boundary conditions at vertices directly. Two papers are devoted to inverse problems in this context: M Harmer studies inverse scattering for the matrix Schrödinger operator on the halfline with applications to star graphs, while P Kurasov and M Nowaczyk give a mathematically rigorous version of the known Gutkin–Smilansky result on the inverse spectral problem. The paper by O Post contributes to the question of how graphs can be approximated by more realistic `fat' graphs, and describes a class leading to disconnected quantum graphs. Finally, S Kondej and one of the editors study scattering in the context of `leaky' graphs which takes quantum tunnelling into account. While most results in this field describe one-particle Hamiltonians, more complicated systems have also been studied. In this issue we have three examples. C Cacciapuito, R Carlone, and R Figari discuss decoherence in a simple model of two particles, one heavy and one light, interacting through a δ potential; they give a rigorous meaning to a formula derived by Joos and Zeh. A related model by R Figari and A Teta is used to describe ionization. M Hallnäs, E Langmann, and C Paufler treat a true N -body situation, namely a model of one-dimensional gas of distinguishable particles interacting through generalized point interactions; they write the Bethe ansatz and present the solution of a particular case. The last group is a collection of contributions which in one sense or another are outside quantum mechanics, either modifying its postulates or applying it to a different physical situation. The latter applies to the paper of D Noja and A Posilicano in which they study nonlinear wave equations with point perturbations and show the existence of a solution to the Cauchy problem. F Coutinho et al discuss one-dimensional point interactions with energy-dependent coupling constant, S Albeverio and S Kuzhel examine a class of point interactions which are not symmetric but P-symmetric, where P is the parity operator, and M Znojil and V Jakubský consider a `double-well' PT-symmetric model with two δ interactions with an imaginary coupling. The last two papers present mathematical constructions. Yu Shondin demonstrates a way to define an interaction more singular than the usual δ potentials obtained by means of self-adjoint extensions, and V Koshmanenko presents a construction of strongly singular perturbations leading to rather unusual `Hamiltonians'.
This paper studies the Fourier spectral method (FSM) for the Schrödinger equation with singular potentials V∈Hs, where s>max{d/2−2,−1} and d denotes the spatial dimension. This setting includes a broad class of singular potentials, such as the 3D Coulomb potential and the 1D Dirac-delta potential. First, we combine the Feshbach-Schur map with a refined perturbation argument to derive sharp convergence orders for FSM, yielding order 2s+2 for eigenvalues and order s+1 for eigenfunctions in the H1 norm. More importantly, the H1 error with respect to the projected eigenfunction converges with a higher order s+1+b, where b=min{s+2−d/2−ε,s+1,2}>0 for arbitrarily small ε>0, revealing a super-convergence phenomenon. Second, in the presence of potentials with isolated point singularities, we develop an asymptotic-recovery (AR) technique to post-process the FSM solutions. The resulting method, dubbed AR-FSM, fully exploits the super-convergence property and achieves convergence orders 2s+2+2b for eigenvalues and s+1+b for eigenfunctions in the H1 norm, while the AR post-processing requires only a computational cost that is linear in the number of FSM degrees of freedom. The analysis introduces a rigorous definition of point singularities and develops a foundational framework for their study. It further establishes an asymptotic expansion of eigenfunctions consisting of a regular component in Hs+4 together with d+1 asymptotic functions associated with each singular point. Numerical experiments confirm the sharpness of these theoretical bounds.
The Signed Particle Formulation provides a particle-based interpretation of quantum mechanics in phase space, where quantum dynamics are represented through the creation and evolution of signed particles. A central computational challenge in this framework is the evaluation of the Wigner kernel, which generally involves highly oscillatory integrals and can become computationally demanding in time-dependent simulations. This paper proposes an analytical approximation of the Wigner kernel for one-dimensional single body quantum systems by exploiting a series-based representation of the potential function. The resulting expression provides an efficient way to approximate the Wigner kernel and the associated Gamma function, which governs the particle-generation process in the Signed Particle Formulation framework. The proposed approximation is evaluated for several Gaussian-based potential profiles, including single, double, triple, and quadruple Gaussian potentials. Numerical comparisons between the approximated and directly computed Wigner kernels and Gamma functions show that the proposed method captures the main behavior of the exact quantities while significantly reducing the computational cost. These results indicate that the proposed approximation can serve as an efficient computational component for scalable Signed Particle Formulation based quantum simulations.
In the framework of distributionally generalized quantum theory, the object Hψ is defined as a distribution. The mathematical significance is a mild generalization for the theory of para- and pseudo-differential operators (as well as a generalization of the weak eigenvalue problem), where the ψ-do symbol (which is not a proper linear operator in this generalized case) can have its coefficient functions take on singular distributional values. Here, a distribution is said to be singular if it is not Lp(Rd) for any p≥1. Physically, the significance is a mathematically rigorous method, which does not rely upon renormalization or regularization of any kind, while producing bound state energy results in agreement with the literature. In addition, another benefit is that the method does not rely upon self-adjoint extensions of the Laplace operator. This is important when the theory is applied to non-Schrodinger systems, as is the case for the Dirac equation and a necessary property of any finite rigorous version of quantum field theory. The distributional interpretation resolves the need to evaluate a wave function at a point where it fails to be defined. For d=2, this occurs as Ko(a∣x∣)δ(x), where Ko is the zeroth order MacDonald function. Finally, there is also the identification of a missing anomalous length scale, owing to the scale invariance of the formal symbol(ic) Hamiltonian, as well as the common identity for the logarithmic function, with a,b∈R+, log(ab)=log(a)+log(b), which loses unitlessness in its arguments. Consequently, the energy or point spectrum is generalized as a family (set indexed by the continuum) of would-be spectral values, called the C-spectrum.
We study the problem of a nonrelativistic quantum particle moving on a real line with an idealized and localized singular interaction with zero range at x = 0 (i.e., a point interaction there). This kind of system can be described in two ways: (i) by considering an alternative free system (i.e., without the singular potential) but excluding the point x = 0 (In this case, the point interaction is exclusively encoded in the boundary conditions.) and (ii) by explicitly considering the singular interaction by means of a local singular potential. In this paper we relate, compare, and discuss, in a simple and pedagogical way these two equivalent approaches. Our main goal in this paper is to introduce the essential ideas about point interactions in a very accesible form to advanced undergraduates.
Abstract When considering quantum systems in phase space, the Wigner function is used as a function of quasi-probability density. Finding the Wigner function is related to the calculation of a Fourier transform of a certain composition of wave functions of the corresponding quantum system. As a rule, knowledge of the Wigner function is not the final goal, and the calculation of mean values of different quantum characteristics of the system is required. An explicit solution of the Schrödinger equation can be obtained only for a narrow class of potentials, therefore, in the majority of cases, numerical methods must be used to find wave functions. As a result, finding the Wigner function is related to the numerical integration of grid wave functions. When considering a one-dimensional system, the calculation of N2 Fourier integrals of the grid wave function is needed. To provide the necessary accuracy for wave functions, corresponding to the higher states of a quantum system, a larger number of grid nodes is needed. The goal of this work was to construct the numerical-analytical method for finding the Wigner function, which allows the number of computational operations to be considerably reduced. The quantum systems with polynomial potentials were considered, for which the Wigner function is represented as a series in some known functions.