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Physical Review A

Extending Schrödinger’s first-passage-time probability to quantum mechanics

Oscar J. Lumpkin

Published Apr 1, 1995• 8 citations
Publisher

Abstract

Schr\"odinger's integral equation for the first-passage-time probability is applied to a quantum particle moving in a time-dependent stochastic potential that mimics Brownian motion. In the limit of large particle mass, it is shown that quantum and classical first-passage-time distributions agree. Possible applications include time delays in quantum tunneling and electron transport in nanostructures and biological molecules.

DOI
10.1103/physreva.51.2758

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Schr"odinger's integral equation for the first-passage-time probability is applied to a quantum particle moving in a time-dependent stochastic potential that mimics Brownian motion. In the limit of large particle mass, it is shown that quantum and classical first-passage-time distributions agree. Possible applications include time delays in quantum tunneling and electron transport in nanostructures and biological molecules.
The quantum-mechanical traversal- (tunneling) time problem is reformulated in terms of a square-integrable amplitude distribution (wave function) whose evolution is governed by a generalized Schr\"odinger equation. The method uses an analogy between quantum mechanics and classical Brownian motion. Brownian and quantum traversal-time distributions are evaluated by the direct integration of corresponding equations of motion. The general relation between Feynman and Schr\"odinger quantum mechanics is discussed.
We first point out that nonrelativistic quantum mechanics formulated at imaginary time s = it can formally be recognized as the Fokker-Planck description of a classical Brownian motion, which occurs (in general) in a medium where particles are absorbed and emitted. We next offer a new formulation of quantum dynamics, which is basically the Langevin treatment of that Brownian motion. More explicitly, we derive a noise average representation of the transition probability W ( X", s"|X', s' ) in terms of the solutions to a Langevin equation with a Gaussian white noise. Upon analytic continuation back to real time W ( X", s"|X', s' ) becomes the propagator of the original Schrödinger equation, namely we have ⟨ X", t"|X', t' ⟩ = W ( X", it"|X', it' ). The main advantage of this approach is to permit a systematic application to quantum-dynamical problems of the mathematical techniques developed in the theory of classical stochastic processes, even when vector potentials and/or time-dependent potentials are present.
First-passage phenomena play a fundamental role in classical stochastic processes. We here exactly solve a quantum first-passage time problem for quantum diffusion driven by measurement noise, a generalization of classical Brownian motion. Such continuous monitoring may trap the measured quantum system in a decoherence-free subspace, a fraction of the available state space that is isolated from the surroundings, and thus plays an important role in quantum information science. We analytically determine the first-passage time distribution, whose form neither depends on the system Hamiltonian nor on the measurement operator, and is therefore universal. These results provide a general framework to investigate the first-passage statistics of diffusive quantum trajectories.
The Schrödinger free particle equation in 1+1 dimension describes second-order effects in ensembles of lattice random walks, in addition to its role in quantum mechanics, and its solutions represent the continuous limit of a property of ensembles of Brownian particles. In the present paper, the classical Schrödinger and Dirac equations have been derived from the Brownian motions of a particle, and it has been shown that the classical Schrödinger equation can be transformed into the usual Schrödinger quantum equation on applying the Heisenberg uncertainty principle between position and momentum, while the Dirac quantum equation follows from its classical counterpart on applying the Heisenberg uncertainty principle between energy and time, without applying any analytical continuation.
Nelson's stochastic mechanics formulates quantum dynamics as a real-time conservative diffusion process in which a particle undergoes Brownian-like motion with a fluctuation amplitude fixed by Planck's constant. While being mathematically equivalent to the Schrödinger formulation, this approach provides an alternative dynamical framework that enables the study of time-resolved quantities that are not straightforwardly defined within the standard operator-based approach. In the present work, Nelson's stochastic mechanics is employed to investigate tunneling-time statistics for bound states in double-well potentials. Using first-passage time theory within this framework, both the mean tunneling time, τˉ\barττˉ, and the full probability distribution, p(τ)p(τ)p(τ), are computed. The theoretical predictions are validated through extensive numerical simulations of stochastic trajectories for two representative potentials. For the square double-well potential, analytical expressions for τˉ\barττˉ are derived and are shown to be in excellent agreement with simulations. In the high-barrier limit, the results reveal a direct relation between the stochastic-mechanical and quantum-mechanical tunneling times, expressed as τQM=(π/2)τˉτ_{\mathrm{QM}} = (π/2)\barττQM​=(π/2)τˉ, where τQMτ_{\mathrm{QM}}τQM​ corresponds to half the oscillation period of the probability of finding the particle in either well. This relation is further confirmed for generic double-well systems through a WKB analysis. As a concrete application, the inversion dynamics of the ammonia molecule is analyzed, yielding an inversion frequency of approximately 24 GHz, in close agreement with experimental observations. These results highlight the potential of stochastic mechanics as a conceptually coherent and quantitatively consistent framework for analyzing tunneling phenomena in quantum systems.
The notion of the first passage time is shown to offer a meaningful extension to quantum tunneling, providing a closed-integral-form analytical unification of the tunneling rate and the tunneling passage time. We demonstrate that, in suitable potential settings, the quantum first passage time, found as a solution to the Fokker-Planck and backward Kolmogorov's equations for the quantum probability density, recovers the hallmark results for the Kramers escape rate, the lifetime of tunneling quasi-stationary wave packets, leads to a classical, distance-over-speed passage time for a free-particle wave function, and offers useful insights into Keldysh's intimation on the electron barrier-traversal time in field-induced ionization.