FFT-split-operator code for solving the Dirac equation in 2+1 dimensions

doi:10.1016/j.cpc.2008.01.042

2008-06-01

107

PRE

Guido R. Mocken *

Christoph H. Keitel

DOI：10.1016/j.cpc.2008.01.042

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摘要

En 中文

The main pan of the code presented in this work represents an implementation of the split-operator method [J.A. Fleck, JR Morris, M.D. Feit, Appl. Phys. 10 (1976) 129-160; R. Heather, Comput. Phys. Comm. 63 (1991) 446] for calculating the time-evolution of Dirac wave functions. It allows to study the dynamics of electronic Dirac wave packets under the influence of any number of laser pulses and its interaction with any number of charged ion potentials. The initial wave function can be either a free Gaussian wave packet or an arbitrary discretized spinor function that is loaded from a file provided by the user. The latter option includes Dirac bound state wave functions. The code itself contains the necessary tools for constructing such wave functions for a single-electron ion. With the help of self-adaptive numerical grids, we are able to study the electron dynamics for various problems in 2+1 dimensions at high spatial and temporal resolutions that are otherwise unachievable. Along with the position and momentum space probability density distributions, various physical observables, such as the expectation values of position and momentum, can be recorded in a time-dependent way. The electromagnetic spectrum that is emitted by the evolving particle can also be calculated with this code. Finally, for planning and comparison purposes, both the time-evolution and the emission spectrum can also be treated in an entirely classical relativistic way. Besides the implementation of the above-mentioned algorithms, the program also contains a large C++ class library to model the geometric algebra representation of spinors; that we use for representing the Dirac wave function. This is why the code is called Dirac++.

Keyword:

Dirac

split-operator

FFT

C plus

geometric algebra