Galerkin method for unsplit 3-D Dirac equation using atomically/kinetically balanced B-spline basis
Computational Physics
2016-09-30 v1
Abstract
A Galerkin method is developed to solve the time-dependent Dirac equation in prolate spheroidal coordinates for an electron-molecular two-center system. The initial state is evaluated from a variational principle using a kinetic/atomic balanced basis, which allows for an efficient and accurate determination of the Dirac spectrum and eigenfunctions. B-spline basis functions are used to obtain high accuracy. This numerical method is used to compute the energy spectrum of the two-center problem and then the evolution of eigenstate wavefunctions in an external electromagnetic field.
Cite
@article{arxiv.1507.07398,
title = {Galerkin method for unsplit 3-D Dirac equation using atomically/kinetically balanced B-spline basis},
author = {F. Fillion-Gourdeau and E. Lorin and A. D. Bandrauk},
journal= {arXiv preprint arXiv:1507.07398},
year = {2016}
}
Comments
29 pages, 7 figures