Quantum Hamilton-Jacobi Equation Research Articles

Hydrodynamical formulation of Wigner–Dunkl quantum mechanics

The hydrodynamical form of Wigner–Dunkl quantum mechanics has been formulated. The main step to get such formulation was to derive a pair of Madelung-like equations (called Madelung–Wigner–Dunkl equations) from the Schrödinger equation appearing in Wigner–Dunkl quantum mechanics. Some aspects of both equations contained in the pair, i.e. the inhomogeneous continuity equation and the quantum Hamilton–Jacobi equation, have been investigated and discussed. With certain assumption, the relation between the expectation value of the quantum potential appearing in the quantum Hamilton–Jacobi equation and the so-called Fisher information has been derived. Then an uncertainty relation between momentum and position which may be tighter than the standard uncertainty relation has been derived by using Cramér–Rao inequality and Fisher information.

Evaluation of the Feynman Propagator by Means of the Quantum Hamilton-Jacobi Equation

It is shown that the complex phase of the Feynman propagator is a solution of the quantum Hamilton–Jacobi equation, namely, it is the quantum Hamilton's principal function (or quantum action). Therefore, the Feynman propagator can be computed either by means of the path integration, or by the way of the Hamilton–Jacobi equation. This is analogous to what happens in classical mechanics, where the Hamilton's principal function can be computed either by integrating the Lagrangian along the extremal paths, or as a solution of partial differential equation, namely the classical Hamilton–Jacobi equation. If the path is decomposed in the classical one and quantum fluctuations, the contribution of these quantum fluctuations satisfies a non-linear partial differential equation, whose coefficients depend on the classical action. When the contribution of the quantum fluctuations depend only on the time, it can be computed by means of a simple integration. The final results for the propagators in this case are equal to the Van Vleck–Pauli–Morette expressions, even though the two derivations are quite different.Quanta 2023; 12: 22–26.

Relativistic Fermion and Boson Fields: Bose-Einstein Condensate as a Time Crystal

In a basis of the space-time coordinate frame four quaternions discovered by Hamilton can be used. For subsequent reproduction of the coordinate frame these four quaternions are expanded to four 4 × 4 matrices with real-valued matrix coefficients −0 and 1. This group set is isomorphic to the SU(2) group. Such a matrix basis introduces extra six degrees of freedom of matter motion in space-time. There are three rotations about three space axes and three boosts along these axes. Next one declares the differential generating operators acting on the energy-momentum density tensor written in the above quaternion basis. The subsequent actions of this operator together with its transposed one on the above tensor lead to the emergence of the gravitomagnetic equations that are like the Maxwell equations. Wave equations extracted from the gravitomagnetic ones describe the propagation of energy density waves and their vortices through space. The Dirac equations and their reduction to two equations with real-valued functions, the quantum Hamilton-Jacobi equations and the continuity equations, are considered. The Klein-Gordon equations arising on the mass shell hints to the alternation of the paired fermion fields and boson ones. As an example, a Feynman diagram of an electron–positron time crystal is illustrated.

The Quantum Hamilton–Jacobi Equation and the Link Between Classical and Quantum Mechanics

We study how the classical Hamilton's principal and characteristic functions are generated from the solutions of the quantum Hamilton–Jacobi equation. While in the classically forbidden regions these quantum quantities directly tend to the classical ones, this is not the case in the allowed regions. There, the limit is reached only if the quantum fluctuations are eliminated by means of coarse-graining averages. Analogously, the classical Hamilton–Jacobi scheme bringing to the motion's equations arises from a similar formal quantum procedure.Quanta 2022; 11: 42–52.

Complex-valued derivative propagation method with adaptive moving grids for electronic nonadiabatic dynamics

The coupled complex quantum Hamilton–Jacobi equations in the diabatic representation are solved on adaptive moving grids for electronic nonadiabatic dynamics. Substitution of the wave functions in exponential form into the coupled time-dependent Schrödinger equations yields the coupled complex quantum Hamilton–Jacobi equations. Analytic equations of motion are derived for the spatial derivatives of the complex action functions for both surfaces. The equations of motion for the complex actions and their spatial derivatives are converted into the arbitrary Lagrangian–Eulerian frame, allowing us to have many ways to choose the velocities for the moving points. The grid points can be specified to move along with the probability fluid. In contrast, choosing the boundary grid points to follow Lagrangian trajectories and forcing the internal grid points to be equally spaced at each time step, we obtain a moving structured grid of uniform spacing during the wave packet evolution. Several examples are presented to illustrate main features of the adaptive grid method, including a single avoided crossing system, a dual avoided crossing system, an ultrashort laser pulse excitation system, and a three-dimensional nonadiabatic system. Accurate computational results demonstrate that the adaptive grid method provides an alternative way to study electronic nonadiabatic dynamics.

Evaluation of the quantum time-correlation functions employing the Hamilton–Jacobi dynamics framework

The quantum Hamilton–Jacobi equation (QHJE) is formally equivalent to the time-dependent Schrodinger equation, and the solutions to the QHJE can be easily interpreted in terms of trajectories providing a link between classical and quantum mechanics. The trajectory-based approaches to quantum molecular dynamics are, generally, appealing because they circumvent exponential scaling associated with exact quantum methods with the system size, and because, unlike classical molecular dynamics, such methods incorporate dominant quantum effects due to delocalization of wavefunctions describing the nuclei. We explore the utility of the QHJE framework for calculations of the time-correlation functions (TCFs) involving quantum evolution defined by the Boltzmann density operator and by the Hamiltonian time-evolution operator. The implementation is based on solutions to the imaginary-time counterpart to the QHJE, which yield approximations to the ground state wavefunction. The resulting nodeless wavefunction is used to generate a basis in coordinate space, which is efficient for evaluation of the low-lying excited states and of the quantum TCFs, including the Kubo-transformed TCFs, at low temperature. The QHJE/basis approach is illustrated on several model systems in and out of thermal equilibrium, i.e., the $${\rm H}_2$$ dimer and bound anharmonic potentials. If a system exhibits large amplitude motion, e.g., in case of the nonequilibrium dynamics, then the real-time trajectory propagation provides an alternative to the basis representation, as demonstrated on a model describing the inversion mode of the ammonia molecule and ion.

Bohm's potential, classical/quantum duality and repulsive gravity

We propose the notion of a classical/quantum duality in the gravitational case (it can be extended to other interactions). By this one means exchanging Bohm's quantum potential for the classical potential VQ↔V in the stationary quantum Hamilton–Jacobi equation (QHJE) so that VQ+V=−V0 (ground state energy). Despite that the corresponding Schrödinger equations, and their solutions differ, their associated quantum Hamilton–Jacobi equation, and ground state energy remains the same. This is how the classical/quantum duality is implemented. In this scenario Bohm's quantum potential (which coincides with the attractive Newtonian potential) is now correlated to a classical repulsive gravitational potential (plus a constant). These results suggest that there might be a quantum origin to the classical repulsive gravitational behavior (of the accelerated expansion) of the universe which is based on this notion of classical/quantum duality. We hope that the notion of classical/quantum duality raised in this work in connection to the QHJE may cast further light into the deep interplay between gravity and quantum mechanics.

Complex-valued derivative propagation method with approximate Bohmian trajectories: Application to electronic nonadiabatic dynamics

The coupled complex quantum Hamilton-Jacobi equations for electronic nonadiabatic transitions are approximately solved by propagating individual quantum trajectories in real space. Equations of motion are derived through use of the derivative propagation method for the complex actions and their spatial derivatives for wave packets moving on each of the coupled electronic potential surfaces. These equations for two surfaces are converted into the moving frame with the same grid point velocities. Excellent wave functions can be obtained by making use of the superposition principle even when nodes develop in wave packet scattering.

Hydrodynamics of superfluid quantum space: de Broglie interpretation of the quantum mechanics

The ubiquitous ether coming from the ancient times up to middle of the twenty century is replaced by a superfluid quantum space. It represents by itself a Bose-Einstein condensate consisting of enormous amount of virtual particle-antiparticle pairs emerging and disappearing in an infinitely ongoing dance. Flowing of this medium in the non-relativistic limit is described by the modified Navier-Stokes equation along with the continuity equation. The first equation admits the splitting on to two coupled equations. They are the quantum Hamilton-Jacobi equation and the equation for vorticity. The quantum Hamilton-Jacoby equation paired with the continuity equation can be reduced to the \Schrodinger equation. These two equations representing the kernel of the Bohmian mechanics give finding bundle of the Bohmian trajectories. Whereas the vorticity equation gives solutions for vortices moving along such trajectories. As the result we come to the de Broglie's interpretation of quantum mechanics according to which there is a pilot-wave guiding the particle (in our case it is a vortex clot) from a source up to its detection along an optimal path that is the Bohmian trajectory.

Bohmian mechanics in the exact factorization of electron-nuclear wave functions

The exact factorization of an electron-nuclear wavefunction [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)] allows us to define the rigorous nuclear time-dependent Schr\"{o}dinger equation (TDSE) with a time-dependent potential-energy surface (TDPES) that fully accounts for the coupling to the electronic motion and drives the nuclear wavepacket dynamics. Here, we study whether the propagation of multiple classical trajectories can reproduce the quantum nuclear motion in strong-field processes when their motions are governed by the quantum Hamilton-Jacobi equation derived by applying Bohmian mechanics to this exact nuclear TDSE. We demonstrate that multiple classical trajectories propagated by the force from the gradient of the exact TDPES plus the Bohmian quantum potential can reproduce the strong-field dissociation dynamics of a one-dimensional model of the H$_2^+$ molecule. Our results show that the force from the Bohmian quantum potential plays a non-negligible role in yielding quantum nuclear dynamics in the strong-field process studied here, where ionization and/or splitting of nuclear probability density occurs.

Lorentz-covariant quantum 4-potential and orbital angular momentum for the transverse confinement of matter waves

In two recent papers exact Hermite-Gaussian solutions to relativistic wave equations have been obtained for both electromagnetic and particle beams that include Gouy phase. The solutions for particle beams correspond to those of the Schr\"{o}dinger equation in the non-relativistic limit. Here, distinct canonical and kinetic 4-momentum operators will be defined for quantum particles in matter wave beams. The kinetic momentum is equal to the canonical momentum minus the fluctuating terms resulting from the transverse localization of the beam. Three results are obtained. First, the total energy of a particle for each beam mode is calculated. Second, the localization terms couple into the canonical 4-momentum of the beam particles as a Lorentz covariant quantum 4-potential originating at the waist. The quantum 4-potential plays an analogous role in relativistic Hamiltonian quantum mechanics to the Bohm potential in the non-relativistic quantum Hamilton-Jacobi equation. Third, the orbital angular momentum (OAM) operator must be defined in terms of canonical momentum operators. It is further shown that kinetic 4-momentum does not contribute to OAM indicating that OAM can therefore be regarded as a pure manifestation of quantum 4-potential.

On the Hamilton–Jacobi method in classical and quantum nonconservative systems

In this work we show how to complete some Hamilton-Jacobi solutions of linear, nonconservative classical oscillatory systems which appeared in the literature and we extend these complete solutions to the quantum mechanical case. In addition, we get the solution of the quantum Hamilton-Jacobi equation for an electric charge in an oscillating pulsing magnetic field. We also argue that for the case where a charged particle is under the action of an oscillating magnetic field, one can apply nuclear magnetic resonance techniques in order to find experimental results regarding this problem. We obtain all results analytically, showing that the quantum Hamilton-Jacobi formalism is a powerful tool to describe quantum mechanics.

Dissipative quantum trajectories in complex space: Damped harmonic oscillator

Dissipative quantum trajectories in complex space are investigated in the framework of the logarithmic nonlinear Schrödinger equation. The logarithmic nonlinear Schrödinger equation provides a phenomenological description for dissipative quantum systems. Substituting the wave function expressed in terms of the complex action into the complex-extended logarithmic nonlinear Schrödinger equation, we derive the complex quantum Hamilton–Jacobi equation including the dissipative potential. It is shown that dissipative quantum trajectories satisfy a quantum Newtonian equation of motion in complex space with a friction force. Exact dissipative complex quantum trajectories are analyzed for the wave and solitonlike solutions to the logarithmic nonlinear Schrödinger equation for the damped harmonic oscillator. These trajectories converge to the equilibrium position as time evolves. It is indicated that dissipative complex quantum trajectories for the wave and solitonlike solutions are identical to dissipative complex classical trajectories for the damped harmonic oscillator. This study develops a theoretical framework for dissipative quantum trajectories in complex space.

Trajectory approach to the Schrödinger–Langevin equation with linear dissipation for ground states

The Schrödinger–Langevin equation with linear dissipation is integrated by propagating an ensemble of Bohmian trajectories for the ground state of quantum systems. Substituting the wave function expressed in terms of the complex action into the Schrödinger–Langevin equation yields the complex quantum Hamilton–Jacobi equation with linear dissipation. 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 is simultaneously integrated with the trajectory guidance equation. Then, the computational method is applied to the harmonic oscillator, the double well potential, and the ground vibrational state of methyl iodide. The excellent agreement between the computational and the exact results for the ground state energies and wave functions shows that this study provides a synthetic trajectory approach to the ground state of quantum systems.

Complex-valued derivative propagation method with approximate Bohmian trajectories for quantum barrier scattering

The complex quantum Hamilton–Jacobi equation for the complex action is approximately solved by propagating individual Bohmian trajectories in real space. Equations of motion for the complex action and its spatial derivatives are derived through use of the derivative propagation method. We transform these equations into the arbitrary Lagrangian–Eulerian version with the grid velocity matching the flow velocity of the probability fluid. Setting higher-order derivatives equal to zero, we obtain a truncated system of equations of motion describing the rate of change in the complex action and its spatial derivatives transported along approximate Bohmian trajectories. A set of test trajectories is propagated to determine appropriate initial positions for transmitted trajectories. Computational results for transmitted wave packets and transmission probabilities are presented and analyzed for a one-dimensional Eckart barrier and a two-dimensional system involving either a thick or thin Eckart barrier along the reaction coordinate coupled to a harmonic oscillator.

Exact treatment of the relativistic double ring-shaped Kratzer potential using the quantum Hamilton–Jacobi formalism

We study the Klein–Gordon equation with noncentral and separable potential under the condition of equal scalar and vector potentials and we obtain the corresponding relativistic quantum Hamilton–Jacobi equation. The application of the quantum Hamilton–Jacobi formalism to the double ring-shaped Kratzer potential leads to its relativistic energy spectrum as well as the corresponding eigenfunctions.

Klein's paradox and quantum Hamiltonian dynamics in complex spacetime

In this paper, along with previous investigation in Payandeh et al., Chin. Phys. C 37, 113103 (2013), we will use the full set of free Dirac's solutions to remove the Klein's paradox. However, we choose a different approach, namely the relativistic quantum Hamilton–Jacobi equations and the resultant quantum states. We show that this full set of solutions can also be retained as a single wave function, and also possess the potential of removing Klein's paradox.

Complex quantum Hamilton-Jacobi equation with Bohmian trajectories: Application to the photodissociation dynamics of NOCl

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.

Energy quantisation and time parameterisation

We show that if space is compact, then trajectories cannot be defined in the framework of quantum Hamilton--Jacobi equation. The starting point is the simple observation that when the energy is quantized it is not possible to make variations with respect to the energy, and the time parameterisation t-t_0=\partial_E S_0, implied by Jacobi's theorem and that leads to group velocity, is ill defined. It should be stressed that this follows directly form the quantum HJ equation without any axiomatic assumption concerning the standard formulation of quantum mechanics. This provides a stringent connection between the quantum HJ equation and the Copenhagen interpretation. Together with tunneling and the energy quantization theorem for confining potentials, formulated in the framework of quantum HJ equation, it leads to the main features of the axioms of quantum mechanics from a unique geometrical principle. Similarly to the case of the classical HJ equation, this fixes its quantum analog by requiring that there exist point transformations, rather than canonical ones, leading to the trivial hamiltonian. This is equivalent to a basic cocycle condition on the states. Such a cocycle condition can be implemented on compact spaces, so that continuous energy spectra are allowed only as a limiting case. Remarkably, a compact space would also imply that the Dirac and von Neumann formulations of quantum mechanics essentially coincide. We suggest that there is a definition of time parameterisation leading to trajectories in the context of the quantum HJ equation having the probabilistic interpretation of the Copenhagen School.

Complex quantum Hamilton–Jacobi equation with Bohmian trajectories for wave packet dynamics

The complex quantum Hamilton–Jacobi equation (CQHJE) for the action function is integrated by propagating correlated Bohmian trajectories in real space. We transform the CQHJE into the arbitrary Lagrangian–Eulerian (ALE) version with the grid velocity matching the flow velocity of the probability fluid. The ALE version describes the rate of change in the complex action transported along Bohmian trajectories. The spatial derivatives of the complex action required for the integration of the CQHJE are evaluated with a moving least squares algorithm. The method is applied to a squeezed state in the harmonic potential and to a two-dimensional barrier scattering problem.