Quantum Wave Packet Dynamics with Trajectories

The quantum hydrodynamic equations associated with the de Broglie–Bohm formulation of quantum mechanics are solved using a meshless method based on a moving least squares approach. An arbitrary Lagrangian–Eulerian frame of reference is used which significantly improves the accuracy and stability of the method when compared to an approach based on a purely Lagrangian frame of reference. A regridding algorithm is implemented which adds and deletes points when necessary in order to maintain accurate and stable calculations. It is shown that unitarity in the time evolution of the quantum wave packet is significantly improved by propagating using averaged fields. As nodes in the reflected wave packet start to form, the quantum potential and force become very large and numerical instabilities occur. By introducing artificial viscosity into the equations of motion, these instabilities can be avoided and the stable propagation of the wave packet for very long times becomes possible. Results are presented for the scattering of a wave packet from a repulsive Eckart barrier.

The known methods, due for instance to G.W. Mackey and T.F. Jordan, which exploit the transformation properties with respect to the Euclidean and Galileian group to determine the formalism of the Quantum Theory of a localizable particle, fail in the case that the considered transformations are not symmetries of the physical system. In the present work we show that the formalism of standard Quantum Mechanics for a particle without spin can be completely recovered by exploiting the covariance properties with respect to the group of Euclidean transformations, without requiring that these transformations are symmetries of the physical system.

Since the very early days of quantum theory there have been numerous attempts to interpret quantum mechanics as a statistical theory. This is equivalent to describing quantum states and ensembles together with their dynamics entirely in terms of phase-space distributions. Finite dimensional systems have historically been an issue. In recent works [Phys. Rev. Lett. 117, 180401 and Phys. Rev. A 96, 022117] we presented a framework for representing any quantum state as a complete continuous Wigner function. Here we extend this work to its partner function -- the Weyl function. In doing so we complete the phase-space formulation of quantum mechanics -- extending work by Wigner, Weyl, Moyal, and others to any quantum system. This work is structured in three parts. Firstly we provide a brief modernized discussion of the general framework of phase-space quantum mechanics. We extend previous work and show how this leads to a framework that can describe any system in phase space -- putting it for the first time on a truly equal footing to Schr\"odinger's and Heisenberg's formulation of quantum mechanics. Importantly, we do this in a way that respects the unifying principles of "parity" and "displacement" in a natural broadening of previously developed phase space concepts and methods. Secondly we consider how this framework is realized for different quantum systems; in particular we consider the proper construction of Weyl functions for some example finite dimensional systems. Finally we relate the Wigner and Weyl distributions to statistical properties of any quantum system or set of systems.

2 - The Formalism of Quantum Mechanics

Quantum mechanical irrebersibility

An investigation on the dynamic modeling and analysis of spatial mechanisms with spherical clearance joints including friction is presented. For this purpose, the ball and the socket, which compose a spherical joint, are modeled as two individual colliding components. The normal contact-impact forces that develop at the spherical clearance joint are determined by using a continuous force model. A continuous analysis approach is used here with a Hertzian-based contact force model, which includes a dissipative term representing the energy dissipation during the contact process. The pseudopenetration that occurs between the potential contact points of the ball and the socket surface, as well as the indentation rate play a crucial role in the evaluation of the normal contact forces. In addition, several different friction force models based on the Coulomb's law are revisited in this work. The friction models utilized here can accommodate the various friction regimens and phenomena that take place at the contact interface between the ball and the socket. Both the normal and tangential contact forces are evaluated and included into the systems' dynamics equation of motion, developed under the framework of multibody systems formulations. A spatial four-bar mechanism, which includes a spherical joint with clearance, is used as an application example to examine and quantify the effects of various friction force models, clearance sizes, and the friction coefficients.

In this chapter, we cover the fundamentals of linear algebra and provide a mathematical formulation of quantum mechanics for use in later chapters. It is necessary to understand these topics since they form the foundation of quantum information processing discussed later. In the first section, we cover the fundamentals of linear algebra and introduce some notation. The next section describes the formulation of quantum mechanics. Further, we examine a quantum two-level system, which is the simplest example of a quantum-mechanical system. Finally, we discuss the tensor product and matrix inequalities. More advanced discussions on linear algebra are available in Appendix.

Bohm's non-relativistic approach to quantum mechanics is generalized to the relativistic domain. The non-relativistic concept of a «quantum potential» is transcribed into the corresponding «quantum force». This quantum force can be deduced from the recently established theory of relativistic Schrodinger equations in a similar way as the original quantum potential is deduced from the ordinary Schrodinger equation. The leading term of the new quantum force turns out as the well-known classical Lorentz force of electrodynamics, but modified by some quantum corrections. In the non-relativistic limit, Bohm's result is recovered again for a scalar particle.

The Berry curvature for magnons in ferromagnetic films gives rise to new phenomena such as thermal Hall effect and a shift of a magnon wave packet at the reflection at the edge of the magnetic film. In this paper, we calculate the Berry curvature of magnetoelastic waves in ferromagnets. In order to calculate the Berry curvature, we first formulate the eigenvalue equation into a Hermitian form from the dynamical equation of motion. We find that the Berry curvature of the magnetoelastic waves shows a peak at the crossing point of the dispersions of magnons and elastic waves, and its peak value is dependent on the hybridization gap at the crossing point. In addition, the behavior of the Berry curvature in the long-wavelength limit changes drastically by the magnetoelastic interaction. We calculate the effect of dipolar interactions in a magnetic film on the Berry curvature, and we find a sign change by increasing the film thickness. The effect of the Berry curvature may be detected by measuring the shift of a wave packet for magnetoelastic waves at a reflection at the edge of a magnet and we find that a shift shows an abrupt change when the wave vector changes across the crossing point.

Forward-backward trajectory formulations of time correlation functions are reviewed. Combination of the forward and reverse time evolution operators within the time-dependent semiclassical approximation minimizes phase cancellation, giving rise to an efficient methodology for simulating the dynamics of low-temperature fluids. A quantum mechanical version of the forward-backward formulation, based on the hydrodynamic formulation of time-dependent quantum mechanics, is also available but is practical only for small systems.

In the standard (Hermitian) formalism of quantum mechanics, usually when a potential parameter is varied the crossing of energy levels with the same symmetry is avoided. However, within the framework of the non-Hermitian formalism it is possible that two (or even more) complex eigenvalues with the same symmetry will cross. At the crossing point the eigenvalues are degenerate and this is accompanied by the coalescence of the eigenfunctions (or eigenvectors). Therefore, we may term this special situation as a non-Hermitian degeneracy. This special situation is associated with a branch point in the complex energy plane which is commonly termed an “exceptional point” in the spectrum of the non-Hermitian Hamiltonian. With respect to the c-product defined for non-Hermitian operators (matrices) in Chapter 6, the degenerate eigenstate is self-orthogonal. Since a branch point in the spectrum is removed by any infinitesimally small external perturbation, it seems to be inaccessible experimentally and may be considered just as a mathematical object rather than a physical one. However, as we will show here, by varying the potential parameters the existence of a branch point is reflected in the measurement of the geometrical phases also known as Berry phases. It should be stressed here that while in our case the geometrical phase results from a coalescence of eigenfunctions of a non-Hermitian Hamiltonian, the so-called Berry phase phenomenon occurs also within the Hermitian formalism of quantum mechanics when the eigenvalues of the molecular Hamiltonian in the Born–Oppenheimer approximation are degenerate for specific geometry of the poly-atomic molecule.

This paper attempts an interpretation of Everett's relative state formulation of quantum mechanics that avoids the commitment to new metaphysical entities like ‘worlds’ or ‘minds’. Starting from Everett's quantum mechanical model of an observer, it is argued that an observer's belief to be in an eigenstate of the measurement (corresponding to the observation of a well-defined measurement outcome) is consistent with the fact that she objectively is in a superposition of such states. “Subjective states” corresponding to such beliefs are constructed. From an analysis of these subjective states and their dynamics it is argued that Everett's pure wave mechanics is subjectively consistent with von Neumann's classical formulation of quantum mechanics. It follows from the argument that the objective state of a system is in principle unobservable. Nevertheless, an adequate concept of empirical reality can be constructed.

The real number line has served classical physics well as a model continuum for both space and time. Quantum mechanics preserves this continuum picture of space and time while extending the range of functions on spacetime to complex numbers. The resulting theory is precise, elegant, experimentally verified and universally accepted. However, since the existence of a ‘realistic’ basis for quantum mechanics remains an open question, there is as yet no consensus on a satisfactory interpretation of the theory. The step in the transition from classical to quantum physics that characteristically impedes attempts to construct realistic models is the special extension of functions from R to C. In quantum mechanics this step is formal and algebraic in nature. This talk discusses an alternative in which the geometry of a spacetime path automatically builds the extension from Z to C, with all spacetime functions simply counting contributions of a single path. The model produces the correct continuum propagator in the continuum limit, but the realistic origin of the propagator is only apparent when the smallest scale in the system (Planck scale) remains finite. This type of model is consequently missed by current formulations of quantum mechanics because the continuum limit is assumed at the outset. This suggests that it may be fruitful to look to discrete formulations of quantum mechanics in the quest for an ontological version of the theory.

We present in a rather pedagogical way a new formulation of quantum mechanics. Our starting point is the path integral representation of the quantum-mechanical propagator analytically continued to imaginary timeW(X″, s″|X′, s′). We view the set of random paths contributing toW(X″, s″|X′, s′) as the manifold of solutions of a Langevin equation with a Gaussian white noise. We thus obtainW(X″, s″|X′, s′) as the noise-average of a suitable functional of the solution of the Langevin equation. The standard quantum-mechanical propagator is finally recovered by analytically continuingW(X″, s″|X′, s′) back to real time. The present approach allows for a straightforward application of standard methods of classical stochastic processes to quantum-mechanical problems and offers a new promising way to perform computer simulations of quantum-dynamical systems.

The five laws of relativistic quantum mechanics, according to Feynman's path integral formulation, are concisely stated and applied to experiments. Reflection–diffraction-grating experiments for both photons and electrons are analysed, in particular, the Davisson–Germer experiment in which the wave-like property of electrons was first established. It is shown how classical, purely spatial, effective wave theories for both photons and electrons are predicted by the path integral formulation of quantum mechanics. The standard Copenhagen interpretation of wave mechanics is critically discussed in the light of the described experimental applications of the path integral formulation.