Time-dependent embedding
Materials Science
2009-11-13 v1
Abstract
A method of solving the time-dependent Schr\"odinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an embedding term added on to the Hamiltonian. This time-dependent embedding term is derived from the Fourier transform of the energy-dependent embedding potential, which embeds the time-independent Schr\"odinger equation. Results are presented for a one-dimensional model of an atom in a time-varying electric field, the surface excitation of this model atom at a jellium surface in an external electric field, and the surface excitation of a bulk state.
Cite
@article{arxiv.0712.2385,
title = {Time-dependent embedding},
author = {J. E. Inglesfield},
journal= {arXiv preprint arXiv:0712.2385},
year = {2009}
}
Comments
31 pages, 13 figures