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arXiv:1305.4619 · Physical Review A

Bohmian quantum trajectories from coherent states

Sanjib Dey, Andreas Fring

Published Aug 19, 2013• 37 citations
arXivHTMLPDF

Abstract

We find that real and complex Bohmian quantum trajectories resulting from well-localized Klauder coherent states in the quasi-Poissonian regime possess qualitatively the same type of trajectories as those obtained from a purely classical analysis of the corresponding Hamilton-Jacobi equation. In the complex cases we treated the quantum potential results to a constant, such that the agreement is exact. For the real cases we provide conjectures for analytical solutions for the trajectories as well as the corresponding quantum potentials. The overall qualitative behavior is governed by the Mandel parameter determining the regime in which the wave functions evolve as solitonlike structures. We demonstrate these features explicitly for the harmonic oscillator and the P\"oschl-Teller potential.

DOI
10.1103/physreva.88.022116

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Quantum trajectories in complex space in the framework of the quantum Hamilton-Jacobi formalism are investigated. For time-dependent problems, the complex quantum trajectories determined from the exact analytical wave function for the free Gaussian wave packet and the coherent state in the harmonic potential are used to demonstrate that the information transported by the particles in the complex space can be used to synthesize the time-dependent wave function on the real axis. For time-independent problems, the exact complex quantum trajectories for the Eckart potential are obtained by numerically integrating the equations of motion. The unusual structure of the total potential (the sum of the classical and the quantum potentials) for the stationary states for the Eckart potential is pointed out. The variations of the complex-valued kinetic energy, classical potential, and quantum potential along the complex quantum trajectories are analyzed. This paper not only analyzes complex quantum trajectories for time-dependent and time-independent systems but also provides a unified description for complex quantum trajectories for one-dimensional problems in the quantum Hamilton-Jacobi formalism.

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Comment on: Bohmian mechanics with complex action : A new trajectory-based formulation of quantum mechanics

Ángel S. Sanz, Salvador Miret-Artés

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

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The Journal of Chemical Physics•Mar 12, 2014•21 citations
We find that real and complex Bohmian quantum trajectories resulting from well-localized Klauder coherent states in the quasi-Poissonian regime possess qualitatively the same type of trajectories as those obtained from a purely classical analysis of the corresponding Hamilton-Jacobi equation. In the complex cases we treated the quantum potential results to a constant, such that the agreement is exact. For the real cases we provide conjectures for analytical solutions for the trajectories as well as the corresponding quantum potentials. The overall qualitative behavior is governed by the Mandel parameter determining the regime in which the wave functions evolve as solitonlike structures. We demonstrate these features explicitly for the harmonic oscillator and the P"oschl-Teller potential.
Quantum trajectories in complex space in the framework of the quantum Hamilton-Jacobi formalism are investigated. For time-dependent problems, the complex quantum trajectories determined from the exact analytical wave function for the free Gaussian wave packet and the coherent state in the harmonic potential are used to demonstrate that the information transported by the particles in the complex space can be used to synthesize the time-dependent wave function on the real axis. For time-independent problems, the exact complex quantum trajectories for the Eckart potential are obtained by numerically integrating the equations of motion. The unusual structure of the total potential (the sum of the classical and the quantum potentials) for the stationary states for the Eckart potential is pointed out. The variations of the complex-valued kinetic energy, classical potential, and quantum potential along the complex quantum trajectories are analyzed. This paper not only analyzes complex quantum trajectories for time-dependent and time-independent systems but also provides a unified description for complex quantum trajectories for one-dimensional problems in the quantum Hamilton-Jacobi formalism.
The introduction of nonlinearities in the Schrödinger equation has been considered in the literature as an effective manner to describe the action of external environments or mean fields. Here, in particular, we explore the nonlinear effects induced by subtracting a term proportional to Bohm’s quantum potential to the usual (linear) Schrödinger equation, which generates the so-called “classical” Schrödinger equation. Although a simple nonlinear transformation allows us to recover the well-known classical Hamilton–Jacobi equation, by combining a series of analytical results (in the limiting cases) and simulations (whenever the analytical treatment is unaffordable), we find an analytical explanation to why the dynamics in the nonlinear “classical” regime is still strongly nonclassical. This is even more evident by establishing a one-to-one comparison between the Bohmian trajectories associated with the corresponding wave function and the classical trajectories that one should obtain. Based on these observations, it is clear that the transition to a fully classical regime requires extra conditions in order to remove any trace of coherence, which is the truly distinctive trait of quantum mechanics. This behavior is investigated in three paradigmatic cases, namely, the dispersion of a free propagating localized particle, the harmonic oscillator, and a simplified version of Young’s two-slit experiment.
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
Bohmian mechanics, developed by Bohm in 1952, provides an alternative interpretation to nonrelativistic quantum mechanics [1-3]. In the hydrodynamic formulation of quantum mechanics, the continuity equation and the quantum Hamilton-Jacobi equation (QHJE) are obtained by substituting the wave function expressed in terms of the real amplitude and the real action function into the time-dependent Schrödinger equation. Bohm’s analytical approach has been used to compute and interpret realvalued quantum trajectories from a precomputed wave function for a diverse range of physical processes [3-8]. In the synthetic approach, the quantum trajectory method has been developed as a computational tool to generate the wave function by evolving ensembles of real-valued quantum trajectories through the integration of the hydrodynamic equations on the fly [9]. Remarkable progress has been made in the use of T&F Cat # K11224, Chapter 18, Page 284, 15-9-2010 real-valued quantum trajectories for solving a wide range of quantum mechanical problems [10].
Complex-extended Bohmian mechanics is investigated by analytically continuing the wave function in polar form into the complex plane. We derive the complex-extended version of the quantum Hamilton-Jacobi equation and the continuity equation in Bohmian mechanics. Complex-extended Bohmian mechanics recovers the standard real-valued Bohmian mechanics on the real axis. The trajectories on the real axis are in accord with the standard real-valued Bohmian trajectories. The trajectories launched away from the real axis never intersect the real axis, and they display symmetry with respect to the real axis. Trajectories display hyperbolic deflection around nodes of the wave function in the complex plane.
The complex quantum Hamilton-Jacobi equation-Bohmian trajectories (CQHJE-BT) method is introduced as a synthetic trajectory method for integrating the complex quantum Hamilton-Jacobi equation for the complex action function by propagating an ensemble of real-valued correlated Bohmian trajectories. Substituting the wave function expressed in exponential form in terms of the complex action into the time-dependent Schrödinger equation yields the complex quantum Hamilton-Jacobi equation. We transform this equation into the arbitrary Lagrangian-Eulerian version with the grid velocity matching the flow velocity of the probability fluid. The resulting equation describing the rate of change in the complex action transported along Bohmian trajectories is simultaneously integrated with the guidance equation for Bohmian trajectories, and the time-dependent wave function is readily synthesized. The spatial derivatives of the complex action required for the integration scheme are obtained by solving one moving least squares matrix equation. In addition, the method is applied to the photodissociation of NOCl. The photodissociation dynamics of NOCl can be accurately described by propagating a small ensemble of trajectories. This study demonstrates that the CQHJE-BT method combines the considerable advantages of both the real and the complex quantum trajectory methods previously developed for wave packet dynamics.