Dynamic Hubbard model for solids with hydrogen-like atoms
Strongly Correlated Electrons
2014-09-09 v2
Abstract
We discuss how to construct a tight binding model Hamiltonan for the simplest possible solid, composed of hydrogen-like atoms. A single orbital per atom is not sufficient because the on-site electron-electron repulsion mixes in higher energy orbitals. The essential physics is captured by a dynamic Hubbard model with one electronic orbital and an auxiliary spin degree of freedom per site. We point out that this physics can lead to a substantial shift in the position and width of electronic energy bands relative to what is predicted by conventional band structure calculations.
Cite
@article{arxiv.1406.7332,
title = {Dynamic Hubbard model for solids with hydrogen-like atoms},
author = {J. E. Hirsch},
journal= {arXiv preprint arXiv:1406.7332},
year = {2014}
}
Comments
Some changes in response to referees' comments