Effective Maxwell Equations from Time-dependent Density Functional Theory
نویسنده
چکیده
The behavior of interacting electrons in a perfect crystal under macroscopic external electric and magnetic fields is studied. Effective Maxwell equations for the macroscopic electric and magnetic fields are derived starting from time-dependent density functional theory. Effective permittivity and permeability coefficients are obtained.
منابع مشابه
Time-dependent density-functional approach for exciton binding energies
Optical processes in insulators and semiconductors, including excitonic effects, can be described in principle exactly using time-dependent density-functional theory TDDFT . Starting from a linearization of the TDDFT semiconductor Bloch equations in a two-band model, we derive a simple formalism for calculating exciton binding energies. This formalism leads to a generalization of the standard W...
متن کاملA Multiscale Method for Optical Responses of Nanostructures
Abstract. We introduce a new framework for the multiphysical modeling and multiscale computation of nano-optical responses. The semi-classical theory treats the evolution of the electromagnetic field and the motion of the charged particles self-consistently by coupling Maxwell equations with Quantum Mechanics. To overcome the numerical challenge of solving high dimensional many body Schrödinger...
متن کاملON MAXWELL'S STRESS FUNCTIONS FOR SOLVING THREE DIMENSIONAL ELASTICITY PROBLEMS IN THE THEORY OF ELASTICITY
The governing equations of three dimensional elasticity problems include the six Beltrami-Michell stress compatibility equations, the three differential equations of equilibrium, and the six material constitutive relations; and these are usually solved subject to the boundary conditions. The system of fifteen differential equations is usually difficult to solve, and simplified methods are usual...
متن کاملDensity and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach
The density and polarization profiles of the dipolar hard ellipsoids confined between hard walls are studied using the density functional theory (DFT). The Hyper-Netted Chain (HNC) approximation is used to write excess grand potential of the system with respect to the bulk value. The number density is expanded up to zero and first order in polarization to find the results. For the zero order in...
متن کاملMulti-physical Modeling and Multi-scale Computation of Nano-Optical Responses
Our recent study of multi-physical modeling and multi-scale computation of nano-optical responses is presented in this paper. The semiclassical theory treats the evolution of the electromagnetic (EM) field and the motion of the charged particles concurently by coupling Maxwell equations with Quantum Mechanics. A new efficient computational framework is proposed in [1, 2] by integrating the Time...
متن کامل