Time propagation of the coupled Maxwell and Kohn-Sham equations using the Riemann-Silberstein formalism

Cody Covington; Daniel Kidd; Haley Buckner; Heiko Appel; Kálmán Varga

doi:10.1103/PhysRevE.100.053301

Time propagation of the coupled Maxwell and Kohn-Sham equations using the Riemann-Silberstein formalism

Phys Rev E. 2019 Nov;100(5-1):053301. doi: 10.1103/PhysRevE.100.053301.

Authors

Cody Covington¹, Daniel Kidd, Haley Buckner², Heiko Appel³, Kálmán Varga²

Affiliations

¹ Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA and Department of Chemistry, Austin Peay State University, Clarksville, Tennessee 37044, USA.
² Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA.
³ Max Planck Institute for the Structure and Dynamics of Matter, Center for Free Electron Laser Science, 22761 Hamburg, Germany.

PMID: 31869973
DOI: 10.1103/PhysRevE.100.053301

Abstract

The coupled Maxwell and time-dependent Kohn-Sham equations are solved using the Riemann-Silberstein vectors to represent the electromagnetic fields. Momentum-space time propagation of the Riemann-Silberstein vectors are proposed and test calculations are presented to show the accuracy of the approach.