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Physical Review Research

Ion stopping force from Bohmian mechanics

P.L. Grande, Raul C. Fadanelli, Filip Vuković, Anna Niggas, Richard Arthur Wilhelm

Published Jan 6, 2026• 0 citations
Publisher

Abstract

We employed Bohmian mechanics to solve the equations of motion for a charged particle traveling in a free electron gas. Quantum effects are accounted for by including the Bohm quantum-mechanical potential Q , which depends on the electronic density, in the typical classical description. Our approach provides a computationally efficient alternative to traditional quantum calculations for determining the electronic stopping force of charged particles in matter. We use this framework to investigate the stopping of fast protons and slow highly charged xenon ions in the free electron gas. For highly charged ions, we predict the stopping force as a function of the projectile charge exchange.

DOI
10.1103/7plq-xskx

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We employed Bohmian mechanics to solve the equations of motion for a charged particle traveling in a free electron gas. Quantum effects are accounted for by including the Bohm quantum-mechanical potential Q , which depends on the electronic density, in the typical classical description. Our approach provides a computationally efficient alternative to traditional quantum calculations for determining the electronic stopping force of charged particles in matter. We use this framework to investigate the stopping of fast protons and slow highly charged xenon ions in the free electron gas. For highly charged ions, we predict the stopping force as a function of the projectile charge exchange.
The ionization dynamics of two-electron atom in an intense laser field is studied by the Bohmian mechanics (BM) theory, and the xenon atomic potential function is used as a model. The single ionization process and double ionization process are calculated by the BM theory and their results are in good agreement with those calculated by numerically solving the time-dependent Schrödinger equation. The analyses of the types, trajectories, and forces of Bohmian particles (BPs) undergoing the single and double ionizations indicate that the re-collision process accounts for a considerable proportion in the singly ionized cases. Furthermore, the analysis of the work done by the external force acting on the BPs shows that the quantum force plays an important role in the re-collision process. This work is helpful in understanding the ionization of two-electron atom in an intense laser field.
In this paper, Bohmian mechanics is applied to intense laser–atom physics. The motion of an atomic electron in an intense laser field is obtained from the Bohm–Newton equation. We find that the quantum potential that dominates the quantum effect of a physical system becomes negligible as the electron is driven far from the parent ion by the intense laser field, i.e. the behavior of the electron smoothly tends towards classical soon after the electron is ionized. Our numerical calculations present direct positive evidence for semiclassical trajectory methods in intense laser–atom physics where the motion of the ionized electron is treated by classical mechanics, while quantum mechanics is needed before the ionization.
Bohmian mechanics is an alternative formulation of quantum mechanics that incorporates the familiar and intuitive picture of particles moving along trajectories and yet predicts the same results as the more widely accepted Copenhagen interpretation. In recent years there has been renewed interest in this Bohmian view, in part for the novel approach that it suggests to certain problems, such as decay processes, both from a theoretical and computational stand point. In this thesis we focus on using the concepts introduced by the Bohmian framework as a practical computational tool. I evaluate a number of implementations of the Bohmian method, get a sense of their strengths and weaknesses and attempt to overcome some stability issues that arise. For problems in one-dimension (lD), accurate solutions of the time-dependent Schrodinger equation produce a wave function from which Bohmian trajectories can be computed by integrating along flux lines. For direct integration of the quantum Hamilton-Jacobi equations, the main problems that arise are related to evauating the quantum potential (QP), especially in regions of low probability density. Sufficient accuracy is required to avoid unphysical trajectory crossings. A number of interpolation schemes were investigated, and smoothed splines with special treatment of edge effects gave the best results. For problems in 2D the alternating direction implicit (ADI) method was employed to produce the wave function. Ways of dealing with unphysical reflections from the boundaries of a finite size domain were studied. The use of cellular automata, especially the lattice-Boltzmann method (LBM) were also considered. Here Bohm trajectories would be propagated by following a small set of rules. The main problem identified is that, unless a scheme can be found in which the quantum potential is self-generating from an equation of continuity, the overhead of computing the QP at each time step, is prohibitive.
In objective gravitational reduction of the wave function of a quantum system, the classical limit of the system is obtained in terms of the objective properties of the system. On the other hand, in Bohmian quantum mechanics the usual criterion for getting classical limit is the vanishing of the quantum potential or the quantum force of the system, which suffers from the lack of an objective description. In this regard, we investigated the usual criterion of getting the classical limit of a free particle in Bohmian quantum mechanics. Then we argued how it is possible to have an objective gravitational classical limit related to the Bohmian mechanical concepts like quantum potential or quantum force. Also we derived a differential equation related to the wave function reduction. An interesting connection will be made between Bohmian mechanics and gravitational concepts.
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.
The exact factorization of an electron-nuclear wave function [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\"odinger equation (TDSE) with a time-dependent potential-energy surface (TDPES) that fully accounts for the coupling to the electronic motion and drives the nuclear wave-packet 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 H2+{{\mathrm{H}}_{2}}^{+}H2​+ 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.