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arXiv:2208.09208 · Physical Review A

Gauge-invariant semidiscrete Wigner theory

Mihail Nedjalkov, Mauro Ballicchia, Robert Kosik, Josef Weinbub

Published Nov 22, 2022• 10 citations
arXivHTMLPDF

Abstract

A gauge-invariant Wigner quantum mechanical theory is obtained by applying the Weyl-Stratonovich transform to the von Neumann equation for the density matrix. The transform reduces to the Weyl transform in the electrostatic limit, when the vector potential and thus the magnetic field are zero. Both cases involve a center-of-mass transform followed by a Fourier integral on the relative coordinate introducing the momentum variable. The latter is continuous if the limits of the integral are infinite or, equivalently, the coherence length is infinite. However, the quantum theory involves Fourier transforms of the electromagnetic field components, which imposes conditions on their behavior at infinity. Conversely, quantum systems are bounded and often very small, as is, for instance, the case in modern nanoelectronics. This implies a finite coherence length, which avoids the need to regularize nonconverging Fourier integrals. Accordingly, the momentum space becomes discrete, giving rise to momentum quantization and to a semidiscrete gauge-invariant Wigner equation. To gain insights into the peculiarities of this theory one needs to analyze the equation for specific electromagnetic conditions. We derive the evolution equation for the linear electromagnetic case and show that it significantly simplifies for a limit dictated by the long coherence length behavior, which involves momentum derivatives. In the discrete momentum picture these derivatives are presented by finite difference quantities which, together with further approximations, allow to develop a computationally feasible model that offers physical insights into the involved quantum processes. In particular, a Fredholm integral equation of the second kind is obtained, where the ``power'' of the kernel components, measuring their rate of modification of the quantum evolution, can be evaluated.

DOI
10.1103/physreva.106.052213

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A gauge-invariant Wigner quantum mechanical theory is obtained by applying the Weyl-Stratonovich transform to the von Neumann equation for the density matrix. The transform reduces to the Weyl transform in the electrostatic limit, when the vector potential and thus the magnetic field are zero. Both cases involve a center-of-mass transform followed by a Fourier integral on the relative coordinate introducing the momentum variable. The latter is continuous if the limits of the integral are infinite or, equivalently, the coherence length is infinite. However, the quantum theory involves Fourier transforms of the electromagnetic field components, which imposes conditions on their behavior at infinity. Conversely, quantum systems are bounded and often very small, as is, for instance, the case in modern nanoelectronics. This implies a finite coherence length, which avoids the need to regularize nonconverging Fourier integrals. Accordingly, the momentum space becomes discrete, giving rise to momentum quantization and to a semidiscrete gauge-invariant Wigner equation. To gain insights into the peculiarities of this theory one needs to analyze the equation for specific electromagnetic conditions. We derive the evolution equation for the linear electromagnetic case and show that it significantly simplifies for a limit dictated by the long coherence length behavior, which involves momentum derivatives. In the discrete momentum picture these derivatives are presented by finite difference quantities which, together with further approximations, allow to develop a computationally feasible model that offers physical insights into the involved quantum processes. In particular, a Fredholm integral equation of the second kind is obtained, where the ``power'' of the kernel components, measuring their rate of modification of the quantum evolution, can be evaluated.
Gauge-invariant Wigner theory describes the quantum-mechanical evolution of charged particles in the presence of an electromagnetic field in phase space, which is spanned by position and kinetic momentum. This approach is independent of the chosen potentials, as it depends only on the electric and magnetic field variables. Several approaches to derive a gauge-invariant Wigner evolution equation have been reported, which are generally complex. This work presents a new formulation for a single electron in a general electromagnetic field based solely on differential operators that simplify existing formulations. A gauge-dependent equation is derived first using Moyal's equation. A transformation of the Wigner function, introduced by Stratonovich, is then used to make the equation gauge-invariant, which gives us a strong formulation of the problem. This equation can be transformed into its weak form, which proves that both formulations are equivalent. An analysis of the different properties of the gauge-dependent and gauge-invariant formulations is given, as well as the different requirements for the regularity and asymptotic behavior of the strong and weak formulations.
Gauge-invariant Wigner theory describes the quantum-mechanical evolution of charged particles in phase space, which is spanned by position and kinetic momentum. This approach uses the electromagnetic field variables instead of the electrodynamic potentials. Several approaches to derive a gauge-invariant Wigner evolution equation have been reported, which are generally complex. This work presents a new formulation for a single electron in a general electromagnetic field, which simplifies existing formulations. First, a gauge-dependent equation is derived using Moyal’s formulation. A transformation of the Wigner function introduced by Stratonovich yields the strong form of the gauge-invariant equation. Expressing the pseudo-differential operators by integral operators gives the weak form of the gauge-invariant equation. An analysis of the different properties of the gauge-invariant equation is given, as well as the different requirements for the regularity and asymptotic behavior of the strong and weak forms.
Using the Wigner-Vlasov formalism, an exact three-dimensional solution of the Schr\"odinger equation for a scalar particle in an electromagnetic field is constructed. Electric and magnetic fields are nonuniform. According to the exact expression for the wave function, the search for two types of Wigner function is conducted. The first function is the usual Wigner function with a kinetic momentum. The second Wigner function is constructed on the basis of the Weyl-Stratonovich transform [Javanainen et al., Phys. Rev. A 35, 2791 (1987); Nedjalkov et al., Phys. Rev. B 99, 014423 (2019)]. It turns out that the second function, unlike the first one, has areas of negative values for wave functions with the Gaussian distribution (Hudson's theorem). An example of an electromagnetic quantum system described by a non-Gaussian wave function has successfully been found. The second Wigner function is positive over the whole phase space for the non-Gaussian wave function. This result is analogous to the Hudson theorem for the gauge invariant Wigner function. On the one hand, knowing the Wigner functions allows one to find the distribution of the mean momentum vector field and the energy spectrum of the quantum system. On the other hand, within the framework of the Wigner-Vlasov formalism, the mean momentum distribution and the magnitude of the energy are initially known. Consequently, the mean momentum distributions and energy values obtained according to the Wigner functions can be compared with the exact momentum distribution and energy values. This paper presents this comparison and describes the differences. The Vlasov-Moyal approximation of average acceleration flow has been built in phase space for a quantum system with an electromagnetic field. The obtained approximation makes it possible to cut the Vlasov chain off at the second equation and also to analyze the Boltzmann H-function evolution. By averaging the Vlasov-Moyal approximation over momentum space we can derive an expression for the electromagnetic force of the classical system. This averaging makes the high-order quantum terms disappear from the ``motion equation.''
We discuss specific features of the electrodynamic characteristics of quantum systems within the framework of models that include a phenomenological description of the relaxation processes. As is shown by W. E. Lamb, Jr., R. R. Schlicher, and M. O. Scully [Phys. Rev. A 36, 2763 (1987)], the use of phenomenological relaxation operators, which adequately describe the attenuation of eigenvibrations of a quantum system, may lead to incorrect solutions in the presence of external electromagnetic fields determined by the vector potential for different resonance processes. This incorrectness can be eliminated by giving a gauge-invariant form to the relaxation operator. Lamb, Jr., et al. proposed the corresponding gauge-invariant modification for the Weisskopf-Wigner relaxation operator, which is introduced directly into the Schr\"odinger equation within the framework of the two-level approximation. In the present paper, this problem is studied for the von Neumann equation supplemented by a relaxation operator. First, we show that the solution of the equation for the density matrix with the relaxation operator correctly obtained ``from the first principles'' has properties that ensure gauge invariance for the observables. Second, we propose a common recipe for transformation of the phenomenological relaxation operator into the correct (gauge-invariant) form in the density-matrix equations for a multilevel system. Also, we discuss the methods of elimination of other inaccuracies (not related to the gauge-invariance problem) which arise if the electrodynamic response of a dissipative quantum system is calculated within the framework of simplified relaxation models (first of all, the model corresponding to constant relaxation rates of coherences in quantum transitions). Examples illustrating the correctness of the results obtained within the framework of the proposed methods in contrast to inaccuracy of the results of the standard calculation techniques are given.
Gauge invariance is one of the more important concepts in physics. We discuss this concept in connection with the unitary evolution of discrete-time quantum walks in one and two spatial dimensions, when they include the interaction with synthetic, external electromagnetic fields. One introduces this interaction as additional phases that play the role of gauge fields. Here, we present a way to incorporate those phases, which differs from previous works. Our proposal allows the discrete derivatives, that appear under a gauge transformation, to treat time and space on the same footing, in a way which is similar to standard lattice gauge theories. By considering two steps of the evolution, we define a density current which is gauge invariant and conserved. In the continuum limit, the dynamics of the particle, under a suitable choice of the parameters, becomes the Dirac equation and the conserved current satisfies the corresponding conservation equation.
For quantum mechanics of a charged particle in a classical external electromagnetic field, there is an apparent puzzle that the matrix element of the canonical momentum and Hamiltonian operators is gauge dependent. A resolution to this puzzle was recently provided by us [X.-S. Chen et al., Phys. Rev. Lett. 100, 232002 (2008)]. Based on the separation of the electromagnetic potential into pure-gauge and gauge-invariant parts, we have proposed a new set of momentum and Hamiltonian operators which satisfy both the requirement of gauge invariance and the relevant commutation relations. In this paper we report a check for the case of the hydrogen-atom problem: Starting from the Hamiltonian of the coupled electron, proton, and electromagnetic field, under the infinite proton mass approximation, we derive the gauge-invariant hydrogen-atom Hamiltonian and verify explicitly that this Hamiltonian is different from the Dirac Hamiltonian, which is the time translation generator of the system. The gauge-invariant Hamiltonian is the energy operator, whose eigenvalue is the energy of the hydrogen atom. It is generally time dependent. In this case, one can solve the energy eigenvalue equation at any specific instant of time. It is shown that the energy eigenvalues are gauge independent, and by suitably choosing the phase factor of the time-dependent eigenfunction, one can ensure that the time-dependent eigenfunction satisfies the Dirac equation.