Unique Quantum Stress Fields
Materials Science
2009-11-07 v1
Abstract
We have recently developed a geometric formulation of the stress field for an interacting quantum system within the local density approximation (LDA) of density functional theory (DFT). We obtain a stress field which is invariant with respect to choice of energy density. In this paper, we explicitly demonstrate this uniqueness by deriving the stress field for different energy densities. We also explain why particular energy densities give expressions for the stress field that are more tractable than others, thereby lending themselves more easily to first-principles calculations.
Cite
@article{arxiv.cond-mat/0102534,
title = {Unique Quantum Stress Fields},
author = {Christopher L. Rogers and Andrew M. Rappe},
journal= {arXiv preprint arXiv:cond-mat/0102534},
year = {2009}
}
Comments
To appear in Proceedings for Fundamental Physics of Ferroelectrics (2001)