A Split-Step Numerical Method for the Time-Dependent Dirac Equation in 3-D Axisymmetric Geometry

TL;DR

This paper introduces a novel numerical method for solving the 3-D time-dependent Dirac equation in axisymmetric systems, effectively handling coordinate singularities and enabling accurate simulations of relativistic quantum phenomena.

Contribution

A new split-step numerical scheme for the Dirac equation in cylindrical coordinates that addresses singularities and improves accuracy in 3-D axisymmetric simulations.

Findings

Validated against analytical solutions for hydrogen-like systems.

Accurately simulated relativistic laser-matter interactions.

Demonstrated effectiveness in handling coordinate singularities.

Abstract

A numerical method is developed to solve the time-dependent Dirac equation in cylindrical coordinates for 3-D axisymmetric systems. The time evolution is treated by a splitting scheme in coordinate space using alternate direction iteration, while the wave function is discretized spatially on a uniform grid. The longitudinal coordinate evolution is performed exactly by the method of characteristics while the radial coordinates evolution uses Poisson's integral solution, which allows to implement the radial symmetry of the wave function. The latter is evaluated on a time staggered mesh by using Hermite polynomial interpolation and by performing the integration analytically. The cylindrical coordinate singularity problem at $r=0$ is circumvented by this method as the integral is well-defined at the origin. The resulting scheme is reminiscent of non-standard finite differences. In the last step of the splitting, the remaining equation has a solution in terms of a time-ordered exponential, which is approximated to a higher order than the time evolution scheme. We study the time evolution of Gaussian wave packets, and we evaluate the eigenstates of hydrogen-like systems by using a spectral method. We compare the numerical results to analytical solutions to validate the method. In addition, we present three-dimensional simulations of relativistic laser-matter interactions, using the Dirac equation.