The many-electron ground-state determines uniquely the potential in Spin-Density-Functional Theory for non-collinear magnetism
Other Condensed Matter
2013-05-29 v4
Abstract
Since Spin Density Functional Theory was first proposed, but also recently, examples were constructed to show that a spin-potential may share its ground state with other spin-potentials. In fact, for collinear magnetic fields and systems with fixed magnetization, the mapping between potentials and ground states is invertible, provided the magnetization is not saturated and that spin-potentials are determined within a spin-constant. We complete the proof that the mapping is invertible also for non-collinear magnetic fields and systems with more than one electron. We then discuss the non-collinear exchange and correlation energy functional and suggest improvements.
Keywords
Cite
@article{arxiv.cond-mat/0510199,
title = {The many-electron ground-state determines uniquely the potential in Spin-Density-Functional Theory for non-collinear magnetism},
author = {Nikitas I. Gidopoulos},
journal= {arXiv preprint arXiv:cond-mat/0510199},
year = {2013}
}