The Floydian trajectory method of quantum mechanics and the appearance of microstates of the Schrödinger equation are reviewed and contrasted with the Bohm interpretation of quantum mechanics. The kinematic equation of Floydian trajectories is analysed in detail and a new definition of the variational derivative of kinetic energy with respect to total energy is proposed for which Floydian trajectories have an explicit time dependence with a frequency equal to the beat frequency between adjacent pairs of energy eigenstates in the case of bound systems. In the case of unbound systems, Floydian and Bohmian trajectories are found to be related by a local transformation of time which is determined by the quantum potential.
The Floydian trajectory method of quantum mechanics and the appearance of microstates of the Schrödinger equation are reviewed and contrasted with the Bohm interpretation of quantum mechanics. The kinematic equation of Floydian trajectories is analysed in detail and a new definition of the variational derivative of kinetic energy with respect to total energy is proposed for which Floydian trajectories have an explicit time dependence with a frequency equal to the beat frequency between adjacent pairs of energy eigenstates in the case of bound systems. In the case of unbound systems, Floydian and Bohmian trajectories are found to be related by a local transformation of time which is determined by the quantum potential.
It is often argued that measurable predictions of Bohmian mechanics cannot be distinguished from those of a theory with arbitrarily modified particle velocities satisfying the same equivariance equation. By considering the wave function of a closed system in a state with definite total energy, we argue that a distinction in measurable predictions is possible. Even though such a wave function is time-independent, the conditional wave function for a subsystem depends on time through the time-dependent particle trajectories not belonging to the subsystem. If these trajectories can be approximated by classical trajectories, then the conditional wave function can be approximated by a wave function which satisfies Schrodinger equation in a classical time-dependent potential, which is in good agreement with observations. However, such an approximation cannot be justified for particle velocities significantly deviating from the Bohmian ones, implying that Bohmian velocities are observationally preferred.
In the one-dimensional stationary case, we construct a mechanical Lagrangian describing the quantum motion of a nonrelativistic spinless system. This Lagrangian is written as a difference between a function T, which represents the quantum generalization of the kinetic energy and which depends on the coordinate x and the temporal derivatives of x up the third order, and the classical potential V(x). The Hamiltonian is then constructed and the corresponding canonical equations are deduced. The function T is first assumed to be arbitrary. The development of T in a power series together with the dimensional analysis allow us to fix univocally the series coefficients by requiring that the well-known quantum stationary Hamilton–Jacobi equation be reproduced. As a consequence of this approach, we formulate the law of the quantum motion representing a new version of the quantum Newton law. We also analytically establish the famous Bohm relation [Formula: see text] outside the framework of the hydrodynamical approach and show that the well-known quantum potential, although it is a part of the kinetic term, plays really the role of an additional potential as assumed by Bohm.
The method, described in the paper, incorporates ideas of the Bohmian formulation of quantum mechanics into a trajectory approach designed for systems comprised of light (quantum) and heavy (nearly classical) particles. The goal is to treat all degrees of freedom on the same footing but, for practical reasons, to include the quantum-mechanical effects into dynamics for just the light particles. The total wavefunction, taken as a product of slow and fast components representing the heavy and light particles respectively is represented in terms of trajectories. The fast component depends on the trajectory-guided configurations of the heavy particles. The initial conditions for the trajectories are defined by the full-dimensional initial wavefunction according to Bohm's prescription of associating the trajectory momentum with the gradient of the wavefunction phase. The time-dependent Schrödinger equation is solved for the quantum degrees of freedom using an ensemble of the quantum trajectories (or other time-propagation method) for each guiding trajectory of the classical subspace. Neglect of the quantum force acting on the heavy particles allows decoupling of the quantum calculations associated with different guiding trajectories. The approach allows reconstruction of the full-dimensional wavefunction and conserves the total wavefunction energy as illustrated for the vibrationally non-adiabatic model.
Bohmian mechanics is a deterministic theory of quantum mechanics that is based on a set of n velocity functions for n particles, where these functions depend on the wavefunction from the n-body time-dependent Schroedinger equation. It is well know that Bohmian mechanics is not applicable to stationary states, since the velocity field for stationary states is the zero function. Recently, an alternative to Bohmian mechanics has been formulated, based on a conservation of energy equation, where the velocity fields are not the zero function, but this formalism is only applicable to stationary states with real valued wavefunctions. In this paper, Bohmian mechanics is merged with the alternative to Bohmian mechanics. This is accomplished by introducing an interpretation of the Bohm quantum potential. The final formalism gives dynamic particles for all states, including stationary states. The final main working equation contains two kinetic energy terms and a term that contains a factor that can be interpreted as a pressure. The derivation is a simple n-body generalization of the recent generalization, or refinement, of the Madelung equations.
In a previous paper [B. Poirier, J. Chem. Phys. 121, 4501 (2004)] a unique bipolar decomposition Ψ=Ψ1+Ψ2 was presented for stationary bound states Ψ of the one-dimensional Schrödinger equation, such that the components Ψ1 and Ψ2 approach their semiclassical WKB analogs in the large-action limit. The corresponding bipolar quantum trajectories, as defined in the usual Bohmian mechanical formulation, are classical-like and well behaved, even when Ψ has many nodes or is wildly oscillatory. A modification for discontinuous potential stationary scattering states was presented in a second, companion paper [C. Trahan and B. Poirier, J. Chem. Phys.124, 034115 (2006), previous paper], whose generalization for continuous potentials is given here. The result is an exact quantum scattering methodology using classical trajectories. For additional convenience in handling the tunneling case, a constant-velocity-trajectory version is also developed.
In a recent publication, Goldfarb et al. have proposed a new trajectory scheme to solve quantum problems: Bohmian mechanics with complex action BOMCA . According to these authors, their contribution represents “a novel formulation of Bohmian mechanics.” In our opinion, rather than a new formulation of Bohmian mechanics, the proposal of Goldfarb et al. consists of a novel quantum computational scheme, which is based on solving the complex trajectory equations resulting from an already known complex version of Bohmian dynamics. On the other hand, Goldfarb et al. also claimed that their numerical scheme describes “fully local complex quantum trajectories,” with the reward of a significantly higher degree of localization than in the conventional Bohmian mechanics by lowering the magnitude of the quantum potential. At least from a theoretical and interpretative point of view, we consider that it is very important to clarify what “fully local quantum trajectories” means. Bohmian mechanics is a nonlocal theory because standard quantum mechanics is a nonlocal theory. This nonlocality manifests via the presence of a quantum potential, and therefore the corresponding quantum trajectories will display features that reflect such nonlocality. Something similar should also occur for any trajectory-based approach that intends to be equivalent to standard quantum mechanics. In this Comment we would like to provide a general discussion on these two aspects arising from the work of Goldfarb et al., which can be of much interest to the Chemical Physics community. In particular, we would like to stress the special interest relying on how the term locality should be employed. The approach of Goldfarb et al. starts with the timedependent quantum Hamilton-Jacobi equation. This equation was considered by Leacock and Padgett in 1983 within the context of the quantum transformation theory as a way to obtain bound-state energy levels of quantum systems with no need to calculate the corresponding eigenfunctions. According to Leacock and Padgett, the quantum Hamilton-Jacobi equation can be either stated as a postulate as done by these authors or derived from the Schrodinger equation through a simple connection formula. In the second case, the quantum action corresponds to the complex phase of the wave function when the latter is expressed as a pure complex exponential function. This relationship allows one to pass straightforwardly from the quantum Hamilton-Jacobi formalism to the standard one in terms of the time-dependent Schrodinger and vice versa . Although both the Ansatz and the formulation used by Leacock and Padgett are similar to those considered in the standard quantum WKB semiclassical approximation, as pointed out by these authors, their approach conceptually differs from the WKB one. Within Bohmian mechanics, energy eigenstates present an inconvenience: they give rise to zero velocity fields. Hence, when particles are described by this type of states, they will remain steady motionless . To overcome this problem, Floyd and Faraggi and Matone developed timeindependent quantum Hamilton-Jacobi-like formulations starting from real bipolar Ansatze, though they did not claim full equivalence with standard quantum mechanics regarding their predictions. Later, John proposed a timedependent complex quantum trajectory formalism based on the same connection formula mentioned by Leacock and Padgett to study the dynamics associated with some simple analytical cases, such as the harmonic oscillator or the step barrier. This “modified de Broglie–Bohm approach to quantum mechanics,” as termed by John, is formally equivalent to the BOMCA formulation of Goldfarb et al. Nevertheless, we would like to specify that, due to the fundamental theoretical nature of John’s contribution, a separate calculation of the wave function is required in order to obtain the corresponding trajectories John makes use of the “guiding wave” idea from Bohmian mechanics . Meanwhile, in the version of Goldfarb et al. the modified de Broglie–Bohm approach is formulated in terms of a closed set of equations in the spirit of quantum hydrodynamical formalisms , which avoids the calculation of the wave functions, thus providing a new, practical use to such an approach. Furthermore, within the approach of Goldfarb et al., the expression for the quantum force happens to be typically much smaller than in standard Bohmian mechanics. On the other hand, we would also like to note that a related formulation has also been used by Chou and Wyatt, though they developed a different, novel numerical scheme to tackle the problem of bound-energy levels and scattering in one dimension. When trying to understand the quantum-classical correspondence from the perspective of a WKB-like formulation of Bohmian mechanics WKB-BM , Sanz and co-workers reached the complex quantum HamiltonJacobi equation the same year as John, but independently. The WKB-BM formulation constitutes an excellent, compreTHE JOURNAL OF CHEMICAL PHYSICS 127, 197101 2007