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The Journal of Chemical Physics

Quantum evolution represented by Brownian motion

Jiushu Shao

Published Jul 13, 2023• 4 citations
Publisher

Abstract

We propose a stochastic Schrödinger equation in which the momentum is coupled to a white Gaussian noise. In the stochastic representation, the kinetic energy representing the self-interaction of momentum is reduced to a linear term of momentum. As such, the quantum evolution operator factorizes into two contributions due to the momentum and the potential, respectively. The exact quantum propagator thereby becomes an expectation of the stochastic one in which the amplitude results from the potential with a fluctuating position: The particle moves with a constant velocity, subjected to a complex Brownian motion. We demonstrate that the stochastic Schrödinger equation can be feasibly used to derive the quantum propagators for the linear potential and the harmonic oscillator system. Novel semiclassical and other approximations may be developed from the new representation of quantum mechanics.

DOI
10.1063/5.0159806

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We propose a stochastic Schrödinger equation in which the momentum is coupled to a white Gaussian noise. In the stochastic representation, the kinetic energy representing the self-interaction of momentum is reduced to a linear term of momentum. As such, the quantum evolution operator factorizes into two contributions due to the momentum and the potential, respectively. The exact quantum propagator thereby becomes an expectation of the stochastic one in which the amplitude results from the potential with a fluctuating position: The particle moves with a constant velocity, subjected to a complex Brownian motion. We demonstrate that the stochastic Schrödinger equation can be feasibly used to derive the quantum propagators for the linear potential and the harmonic oscillator system. Novel semiclassical and other approximations may be developed from the new representation of quantum mechanics.
Quantum evolution was recently shown to be equivalent to the mathematical expectation of the stochastic motion described by the Schr\"odinger equation with momentum-coupled white noise [J. Shao, J. Chem. Phys. 159, 024128 (2023)]. The stochastic formulation provides a convenient means of evaluating quantum propagators because the involved kinetic and potential contributions are disentangled. With the help of the auxiliary functional averaging technique, we apply this scheme to the derivation of the quantum propagators for systems of exponential, linear, harmonic, and $\ensuremath{\delta}$-function potentials. Notably, our work presents a truly workable expression of the quantum propagator for the exponential potential problem. To demonstrate the features and advantages of this propagator, we use it to calculate the wave-packet dynamics and compare it to the split-operator method.
We give a new description of quantum Brownian motion in terms of stochastic pure states. The corresponding path integral propagator allows us to establish a direct connection to the classical Langevin equation, in the Schrodinger picture. We show that in the quantum domain, one is naturally led to consider two stochastic processes driving the Brownian dynamics, one of them representing thermal fluctuations, as in the classical case. The second process reflects growing entanglement between the Brownian particle and its environment, and is therefore a truly quantum noise process. Technically, our result rests on the representation of the full propagator of the Brownian particle and its environment in a coherent state basis. For open system dynamics that may be described by a master equation, such stochastic schemes have already been proven to be efficient Monte Carlo methods. Here, we give a new stochastic scheme that covers low temperatures and strong friction, the latter limit being the case Einstein originally investigated.
In the frames of classical mechanics the generalized Langevin equation is derived for an arbitrary mechanical subsystem coupled to the harmonic bath of a solid. A time-acting temperature operator is introduced for the quantum Klein-Kramers and Smoluchowski equations, accounting for the effect of the quantum thermal bath oscillators. The model of Brownian emitters is theoretically studied and the relevant evolutionary equations for the probability density are derived. The Schrodinger equation is explained via collisions of the target point particles with the quantum force carriers, transmitting the fundamental interactions between the point particles. Thus, electrons and other point particles are no waves and the wavy chapter of quantum mechanics originated for the force carriers. A stochastic Lorentz-Langevin equation is proposed to describe the underlaying Brownian-like motion of the point particles in quantum mechanics. Considering the Brownian dynamics in the frames of the Bohmian mechanics, the density functional Bohm-Langevin equation is proposed, and the relevant Smoluchowski-Bohm equation is derived. A nonlinear master equation is proposed by proper quantization of the classical Klein-Kramers equation. Its equilibrium solution in the exact canonical Gibbs density operator, while the well-known Caldeira-Leggett equation is simply a linearization at high temperature. In the case of a free quantum Brownian particles, a new law for the spreading of the wave packet it discovered, which represents the quantum generalization of the classical Einstein law of Brownian motion. A new projector operator is proposed for the collapse of the wave function of a quantum particle moving in a classical environment. Its application results in dissipative Schrodinger equations, as well as in a new form of dissipative Liouville equation in classical mechanics.
By virtue of stochastic decoupling, the quantum evolution of a harmonic oscillator is converted into two virtual contributions dictated by either a stochastic creation operator or a stochastic annihilation operator. Two approaches are provided to resolve these virtual two evolution operators. One is based on the coherent-state representation and the other deals with the momentum representation after separating out the position and momentum factors. The quantum propagator of the harmonic oscillator is obtained by taking the random average of the combined virtual propagators. The main mathematical exercise of the whole procedure is the calculation of the Gaussian integral.
We develop a Schrödinger-picture formulation for a scalar quantum field driven by a Lorentz-invariant white-noise field. The quantum state of the system is described by a stochastic wave functional that evolves according to a stochastic Schrödinger equation. We show that the Gaussian structure of the wave functional is preserved under the stochastic evolution, allowing the dynamics to be reduced to a set of equations for the corresponding kernel functions. These kernel equations are derived and solved exactly, yielding an explicit time-dependent expression for the wave functional. The exact solution enables a direct analysis of the statistical properties of the quantum field in the space of field configurations. In particular, we show that the expectation value of the field operator obeys the same stochastic equation as the classical field obtained from the Euler-Lagrange equation of the action. We further compute the energy density from the stochastic wave functional and evaluate its ensemble average over noise realizations. The resulting energy production rate coincides with that obtained from the corresponding Lindblad equation. This result indicates that the stochastic quantum state remains well defined even though certain derived observables exhibit ultraviolet divergences associated with the white-noise idealization.
Abstract We propose a Langevin equation to describe the quantum Brownian motion of bounded particles based on a distinctive formulation concerning both the fluctuation and dissipation forces. The fluctuation force is similar to that employed in the classical case. It is a white noise with a variance proportional to the temperature. The dissipation force is not restricted to be proportional to the velocity and is determined in a way as to guarantee that the stationary state is given by a density operator of the Gibbs canonical type. To this end we derived an equation that gives the time evolution of the density operator, which turns out to be a quantum Fokker–Planck–Kramers equation. The approach is applied to the harmonic oscillator in which case the dissipation force is found to be non Hermitian and proportional to the velocity and position.