Coupled Maxwell and Time-Dependent Orbital Free Density Functional Calculations

Coupled Maxwell and time-dependent orbital-free calculations are implemented and tested to describe the interaction of electromagnetic waves and matter. The currents and induced fields predicted by the orbital-free calculations are compared to time-dependent density functional calculations and very...

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Bibliographic Details
Published in:arXiv.org 2020-12
Main Authors: Covington, Cody, Malave, Justin, Varga, Kalman
Format: Article
Language:English
Subjects:
Density
Electromagnetic radiation
Icosahedrons
Jellium
Mathematical analysis
Sheets
Time dependence
Online Access:Get full text
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Summary:Coupled Maxwell and time-dependent orbital-free calculations are implemented and tested to describe the interaction of electromagnetic waves and matter. The currents and induced fields predicted by the orbital-free calculations are compared to time-dependent density functional calculations and very good agreement is found for various systems including jellium sheets, jellium spheres, atomistic sheets, and icosahedron clusters.
ISSN:2331-8422
DOI:10.48550/arxiv.2012.08008