pith. sign in

arxiv: cond-mat/0006116 · v1 · submitted 2000-06-07 · ❄️ cond-mat.mtrl-sci

Nonuniqueness of the Potentials of Spin-Density-Functional Theory

classification ❄️ cond-mat.mtrl-sci
keywords potentialssdftdensitiesspin-density-functionaltheoryapplicationsargumentsbeliefs
0
0 comments X
read the original abstract

It is shown that, contrary to widely held beliefs, the potentials of spin-density-functional theory (SDFT) are not unique functionals of the spin densities. Explicit examples of distinct sets of potentials with the same ground-state densities are constructed, and general arguments that uniqueness should not occur in SDFT and other generalized density-functional theories are given. As a consequence, various types of applications of SDFT require significant corrections or modifications.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.