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Computing the wavefunction from trajectories: particle and wave pictures in quantum mechanics and their relation

Peter Holland

Published Jan 1, 2004• 51 citations
OpenAlex

Abstract

We discuss the particle method in quantum mechanics which provides an exact scheme to calculate the time-dependent wavefunction from a single-valued continuum of trajectories where two spacetime points are linked by at most a single orbit. A natural language for the theory is offered by the hydrodynamic analogy, in which wave mechanics corresponds to the Eulerian picture and the particle theory to the Lagrangian picture. The Lagrangian model for the quantum fluid may be developed from a variational principle. The Euler-Lagrange equations imply a fourth-order nonlinear partial differential equation to calculate the trajectories of the fluid particles as functions of their initial coordinates using as input the initial wavefunction. The admissible solutions are those consistent with quasi-potential flow. The effect of the superposition principle is represented via a nonclassical force on each particle. The wavefunction is computed via the standard map between the Lagrangian coordinates and the Eulerian fields, which provides the analogue in this model of Huygens principle in wave mechanics. The method is illustrated by calculating the time-dependence of a free Gaussian wavefunction. The Eulerian and Lagrangian pictures are complementary descriptions of a quantum process in that they have associated Hamiltonian formulations that are connected by a canonical transformation. The de Broglie-Bohm interpretation, which employs the same set of trajectories, should not be conflated with the Lagrangian version of the hydrodynamic interpretation. The theory implies that the mathematical results of the de Broglie-Bohm model may be regarded as statements about quantum mechanics itself rather than about its interpretation.

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We discuss the particle method in quantum mechanics which provides an exact scheme to calculate the time-dependent wavefunction from a single-valued continuum of trajectories where two spacetime points are linked by at most a single orbit. A natural language for the theory is offered by the hydrodynamic analogy, in which wave mechanics corresponds to the Eulerian picture and the particle theory to the Lagrangian picture. The Lagrangian model for the quantum fluid may be developed from a variational principle. The Euler-Lagrange equations imply a fourth-order nonlinear partial differential equation to calculate the trajectories of the fluid particles as functions of their initial coordinates using as input the initial wavefunction. The admissible solutions are those consistent with quasi-potential flow. The effect of the superposition principle is represented via a nonclassical force on each particle. The wavefunction is computed via the standard map between the Lagrangian coordinates and the Eulerian fields, which provides the analogue in this model of Huygens principle in wave mechanics. The method is illustrated by calculating the time-dependence of a free Gaussian wavefunction. The Eulerian and Lagrangian pictures are complementary descriptions of a quantum process in that they have associated Hamiltonian formulations that are connected by a canonical transformation. The de Broglie-Bohm interpretation, which employs the same set of trajectories, should not be conflated with the Lagrangian version of the hydrodynamic interpretation. The theory implies that the mathematical results of the de Broglie-Bohm model may be regarded as statements about quantum mechanics itself rather than about its interpretation.
Transcending its origin in the debate on the interpretation of quantum theory, the continuous deterministic trajectory has proved a potent tool in computational quantum mechanics (an excellent introduction to numerical trajectory techniques is provided by Wyatt’s text [1]). It is straightforward to develop a method to derive the timedependent Schrödinger equation from a single-valued continuum of spacetime trajectories, and supply a corresponding exact formula for the wavefunction [2].Anatural language for this theory of evolution is offered by the hydrodynamic analogy, in which wave mechanics corresponds to the Eulerian picture (as shown by Madelung [3]) and the trajectory theory to the Lagrangian picture. The Lagrangian model for the quantum fluid may be developed from a variational principle involving a specific interaction potential (the quantum internal potential energy), and the Euler-Lagrange equations imply a nonlinear partial differential equation to calculate the trajectories of the fluid particles as functions of their initial coordinates and the initial wavefunction. The latter supplies two sets of data to the particle model: the initial density (via the amplitude) and the initial velocity (via the phase). The time-dependent wavefunction is then computed via the standard map between the Lagrangian coordinates and the Eulerian fields.
Quantum hydrodynamics represents quantum mechanics through two complementary models: the Eulerian picture, a direct transcription of wave mechanics, and the Lagrangian picture, in which the quantum state is represented by the collective motion of a continuum of fluid particles, the latter being obtained by continuously varying the particle label. The Lagrangian picture thus adds variables to the quantum formalism and exhibits a corresponding new quantum symmetry viz. a continuous particle-relabelling covariance group. Using Noether's theorem, the relabelling symmetry is derived as a component of a general investigation of symmetries and conservation laws in the quantum Lagrangian picture. Relations with symmetries and conservation laws in the Eulerian picture are explored in detail. Alongside the infinite relabelling group, the 12-parameter kinematical covariance group of the Schrödinger equation is derived. It is stressed that the role of label transformations extends beyond the class corresponding to Eulerian invariance. As an example, it is shown that the linear superposition of waves, a fundamental symmetry of the quantum Eulerian picture, can be generated by a deformation-dependent label transformation in the Lagrangian picture.
The similarity in form between the two real equations implied by the single-body spin-0 Schrödinger equation in the position representation (wave mechanics) and the equations of fluid mechanics with potential flow in its Eulerian formulation was first pointed out by Madelung in 1926 [1]. In this analogy, the probability density is proportional to the fluid density, and the phase of the wave function is a velocity potential. A novel feature of the quantum fluid is the appearance of quantum stresses, which are usually represented through the quantum potential. To achieve mathematical equivalence of the models, the hydrodynamic variables have to satisfy 4.1 Introduction .................................................................................................... 55 4.2 Deduction of Schrödinger’s Equation from the Lagrangian Picture Trajectory Theory ........................................................................................... 57 4.2.1 Lagrangian Picture ............................................................................. 57 4.2.2 Eulerian Picture .................................................................................. 62 4.2.3 Equivalence of First-Order and Second-Order Trajectory Laws ........64
The de Broglie--Bohm causual (hydrodynamic) formulation of quantum mechanics is computationally implemented in the Lagrangian (moving with the fluid) viewpoint. The quantum potential and force are accurately evaluated with a moving weighted least squares algorithm. The quantum trajectory method is then applied to barrier tunneling on smooth potential surfaces. Analysis of the tunneling mechanism leads to a novel and accurate approximation: shortly after the wave packet is launched, completely neglect all quantum terms in the dynamical equations for motion along the tunneling coordinate.
It is shown that the Schrödinger equation can be cast in the form of two coupled real conservation equations, in Euclidean spacetime in the free case and in a five-dimensional Eisenhart geometry in the presence of an external potential. This implies a novel two-phase quantum-hydrodynamic model whose Lagrangian picture provides an exact scheme to calculate the time-dependent wavefunction from a continuum of deterministic trajectories where two points are linked by at most two trajectories. Properties of the model are examined, including the appearance of 'entangled' trajectories in separable states. Wavefunction constructions employing alternative two-phase models are proposed.
Abstract We present a unified field theory of wave and particle in quantum mechanics. This emerges from an investigation of three weaknesses in the de Broglie–Bohm theory: its reliance on the quantum probability formula to justify the particle-guidance equation; its insouciance regarding the absence of reciprocal action of the particle on the guiding wavefunction; and its lack of a unified model to represent its inseparable components. Following the author’s previous work, these problems are examined within an analytical framework by requiring that the wave–particle composite exhibits no observable differences with a quantum system. This scheme is implemented by appealing to symmetries (global gauge and spacetime translations) and imposing equality of the corresponding conserved Noether densities (matter, energy, and momentum) with their Schrödinger counterparts. In conjunction with the condition of time-reversal covariance, this implies the de Broglie–Bohm law for the particle where the quantum potential mediates the wave–particle interaction (we also show how the time-reversal assumption may be replaced by a statistical condition). The method clarifies the nature of the composite’s mass, and its energy and momentum conservation laws. Our principal result is the unification of the Schrödinger equation and the de Broglie–Bohm law in a single inhomogeneous equation whose solution amalgamates the wavefunction and a singular soliton model of the particle in a unified spacetime field. The wavefunction suffers no reaction from the particle since it is the homogeneous part of the unified field to whose source the particle contributes via the quantum potential. The theory is extended to many-body systems. We review de Broglie’s objections to the pilot-wave theory and suggest that our field-theoretic description provides a realization of his hitherto unfulfilled ‘double solution’ programme. A revised set of postulates for the de Broglie–Bohm theory is proposed in which the unified field is taken as the basic descriptive element of a physical system.