We explain the approximate nature of particle trajectories in Bohm's quantum mechanics. They are streamlines of a superfluid in Madelung's reformulation of the Schrödinger wave function, around which the proper particle trajectories perform their quantum mechanical fluctuations to ensure Heisenberg's uncertainty relation between position and momentum.
We explain the approximate nature of particle trajectories in Bohm's quantum mechanics. They are streamlines of a superfluid in Madelung's reformulation of the Schrödinger wave function, around which the proper particle trajectories perform their quantum mechanical fluctuations to ensure Heisenberg's uncertainty relation between position and momentum.
Bohm theory is a formulation of Quantum Mechanics that characterises the state of a quantum system according to both the wave function, as in the conventional formulation, and the coordinates (positions) of all the particles that evolve in time drawing quantum continuous trajectories. Furthermore, a statistical ensemble of all the possible trajectories, raising from the impossibility to know the initial position of all the particles, establishes the exact correspondence with the traditional Quantum Mechanics. From a computational point of view, Bohm theory has found many applications in Chemical Physics especially to develop new methodologies for solving the Schrödinger equation and to address semi-classical approximations of Quantum Mechanics. From a theoretical point of view, the most appealing feature of Bohm theory is its capability to supply a conceptual map between the quantum formalism and our representation of what a chemical system is. Chemical systems are composed of molecules, but the same idea of molecule requires a specific arrangement in the space of particles, i.e., the nuclei of the atoms. The statistical description of conventional Quantum Mechanics on the basis of wave function alone is insufficient to establish a clear correspondence with such a picture of molecules. Indeed, chemists employ usually Classical Mechanics in order to overcome this drawback of the standard quantum theory. On the other hand, if the particles position is included in the quantum formalism, as Bohm theory does, the map can be defined in a self-consistent way. In other words, Bohm theory appears to be the suitable quantum framework to represent molecules and their motion. The chemical representation of molecular systems finds a natural correspondence with a single Bohm trajectory, since it is always implicitly assumed that molecular components have specific spatial position independently of our knowledge about it. Consequently, we develop a quantum method whose fundamental assumption is that a single Bohm trajectory, i.e., a quantum molecular trajectory, describes the molecular systems and the molecular motion correctly. First of all, we examine the correspondence between a single Bohm trajectory and the conventional Quantum Mechanics, without using the ensemble of trajectories. We verify that such a correspondence exists through numerical simulations and we prove formally that the statistical properties of a single Bohm trajectory explain the probabilistic description of Quantum Mechanics. Once the consistency of this original approach has been established, we investigate the predicted properties. For instance, we take into account the constants of motion (such as the energy) corresponding to the time evolution of the coordinates and the behaviour of simple chemical systems, e.g., the vibrational motion of single molecules interacting with a resonant field. In this way, unexpected features of the molecular motion are found. Secondly, we tackle the challenge of describing many components systems (like the chemical systems in ordinary conditions). As a matter of fact, the computation of the Bohm trajectory and of the wave function is extremely demanding. However, the statistical properties of the Bohm trajectory allow the derivation of stochastic theories for examining the dynamics of open quantum systems, i.e., few molecules (or few degrees of freedom) interacting with their environment (the other molecules). One of the developed stochastic methods correlates the dynamics of the reduced density matrix, for the degrees of freedom of interest, to the evolution of the corresponding Bohm coordinates. In other words, the Bohm equation, determining the set of all the particles velocities according to the full wave function, is replaced with a stochastic one that approximates the velocity of a subset of coordinates according to the reduced density matrix. In such a way, the quantum fluctuations induced by the environment are taken into account. The advantage of this method concerns its capability of describing quantum systems, including open quantum systems, in terms of a quantum trajectory. This could allow the understanding of the molecular motion during a spectroscopical experiment. The possibility of investigating reactive systems, such as conformational changes, is particularly interesting. As a matter of fact, chemical reactions can be completely characterised only through the particles motion and we define the suit- able quantum methodology providing a self-consistent description of the molecular motion.
After summarizing three versions of trajectory-based quantum mechanics, it is argued that only the original formulation due to Bohm, which uses the Schrödinger wave function to guide the particles, can be readily extended to particles with spin. To extend the two wave function-free formulations, it is argued that necessarily particle trajectories not only determine location, but also spin. Since spin values are discrete, it is natural to revert to a variation of Bohm's pilot wave formulation due originally to Bell. It is shown that within this formulation with stochastic quantum trajectories, a wave function free formulation can be obtained.
The quantum trajectories in the de Broglie-Bohm formulation of quantum mechanics depend on an additional quantum potential derived from the full wave solution of Schrödinger's equation. The task of supplying collectively all the correct quantum results strongly alters the characteristics of the corresponding classical trajectories, which underlie semiclassical approximations to the evolving wave function. Both classical and quantum trajectories are here considered to be conservative with no influence of an external environment, even though this is the source of eventual classicality in quantum systems, that is, decoherence. The concept of integrability, closely correspondent in classical and quantum mechanics, is not preserved by the quantum trajectories. General systems, in which classical chaotic motion participates, are much harder to treat semiclassically, but quantum trajectories can be chaotic even for integrable systems. This discrepancy between the character of classical and quantum trajectories in the de Broglie-Bohm interpretation does not clarify the singular classical-quantum transition.
de Broglie-Bohm theory (dBBT), treating quantum particles as point objects moving along well defined (Bohmian) trajectories, offers an appealing solution of the measurement problem in quantum mechanics; it has, however, problems relating to spin, relativity and lack of proper integration with the Hilbert space based framework. In this work, we present a consistent formalism which has the traditional state-observable framework integrated with the desirable features of dBBT. We adopt ensemble interpretation for the Schrodinger wave function ψ. Given a Schrodinger wave function ψ, we use its value ψ0 at some fixed time (say, t=0) to define the probability measure ∣ψ0∣2dx on the system configuration space M (=Rn). On the resulting probability space M0, we introduce a stochastic process ξ(t) corresponding to the Heisenberg position operator XH(t) such that, in the Heisenberg state ∣ψh⟩ corresponding to ψ0, the expectation value of XH(t) equals that of ξ(t) in M0. This condition leads to the de Broglie-Bohm guidance equation for the sample paths of the process ξ(t) which are, therefore, Bohmian trajectories supposedly representing time-evolutions of individual members of the ψ0-ensemble. Stochastic processes and Bohmian trajectories corresponding to observables with discrete eigenvalues (in particular spin) are treated by extending the configuration space to the spectral space of the commutative algebra obtained by adding appropriate discrete observables to the position observables. Pauli's equation is treated as an example. A straightforward derivation of von Neumann's projection rule employing the Schrodinger-Bohm evolution of individual systems along their Bohmian trajectories is given. Some comments on the potential application of the formalism developed here to quantum mechanics of the universe are included.
We discuss quantum trajectories from the point of view of Bohm and Wyatt. We find that the theory can be formally written in terms of a field (probability) [P(x,t)], a position [x], and an average momentum [〈p〉] in a density operator which is normalized and Hermitian, but not positive definite. One consequence of this is that the theory obeys, in a natural way, a formal relation ΔxΔp=0 for these averages. We interpret this as a consistency requirement for a trajectory in space–time with a position x and an average momentum which allows a space–time description. We show that a momentum space form can be written in terms of a field (probability) [P(p,t)], a momentum [p], and an average position [〈x〉]. We briefly discuss potential chemical applications of quantum trajectories in the theory of chemical dynamics, kinetics, and local field theory.
Quantum uncertainty emerged from two strikingly different routes to quantum mechanics. Heisenberg's matrix mechanics replaced the classical description of atomic orbits by relations among observable transition quantities and led, in 1927, to the uncertainty relation and its influential measurement-based interpretation. Schrödinger's wave mechanics grew instead from the Bose--Einstein and de Broglie developments and restored a continuous space-time description through matter waves. The two formalisms were soon shown to be closely related, but neither historical route by itself settles the ontological question of whether particles may possess underlying trajectories.
After reviewing these developments, including Einstein's criticism of a simple observability doctrine and Mott's wave-mechanical account of straight cloud-chamber tracks, we distinguish precise quantum uncertainty relations from the stronger claim that quantum mechanics excludes definite microscopic histories. We then compare Feynman paths, Bohmian trajectories, Nelson's stochastic mechanics, and finite-speed persistent Goldstein--Kac dynamics. The Kac process has continuous, piecewise differentiable finite-speed paths; its diffusion limit approaches Wiener kinematics, while analytic continuation of its two-sector dynamics is related to Dirac evolution. These examples show that quantum uncertainty relations constrain observable statistics without, by themselves, uniquely determining an underlying path geometry.