Coupled Maxwell and Time-Dependent Orbital Free Density Functional Calculations
arXiv:2012.08008 · doi:10.1103/PhysRevB.103.075119
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.
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Cited by in corpus (4)
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- Nonlocal and nonadiabatic Pauli potential for time-dependent orbital-free density functional theory
- Imposing Correct Jellium Response Is Key to Predict the Density Response by Orbital-Free DFT