English

Density-Wavefunction Mapping in Degenerate Current-Density-Functional Theory

Chemical Physics 2018-02-28 v1 Materials Science Computational Physics

Abstract

We show that the particle density, ρ(r)\rho(\mathbf{r}), and the paramagnetic current density, jp(r)\mathbf{j}^{p}(\mathbf{r}), are not sufficient to determine the set of degenerate ground-state wave functions. This is a general feature of degenerate systems where the degenerate states have different angular momenta. We provide a general strategy for constructing Hamiltonians that share the same ground state density, yet differ in degree of degeneracy. We then provide a fully analytical example for a noninteracting system subject to electrostatic potentials and uniform magnetic fields. Moreover, we prove that when (ρ,jp)(\rho,\mathbf{j}^p) is ensemble (v,A)(v,\mathbf{A})-representable by a mixed state formed from rr degenerate ground states, then any Hamiltonian H(v,A)H(v',\mathbf{A}') that shares this ground state density pair must have at least rr degenerate ground states in common with H(v,A)H(v,\mathbf{A}). Thus, any set of Hamiltonians that shares a ground-state density pair (ρ,jp)(\rho,\mathbf{j}^p) by necessity has at least have one joint ground state.

Keywords

Cite

@article{arxiv.1801.09606,
  title  = {Density-Wavefunction Mapping in Degenerate Current-Density-Functional Theory},
  author = {Andre Laestadius and Erik I. Tellgren},
  journal= {arXiv preprint arXiv:1801.09606},
  year   = {2018}
}
R2 v1 2026-06-23T00:01:39.351Z