Coupled Maxwell and Time-Dependent Orbital Free Density Functional Calculations

Abstract

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.

References in corpus (3)

• A model metal potential exhibiting polytetrahedral clusters
• Orbital-Free DFT Correctly Models Quantum Dots When Asymptotics, Nonlocality and Nonhomogeneity Are Accounted For
• Data-driven kinetic energy density fitting for orbital-free DFT: linear vs Gaussian process regression