3 years ago

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

Erik I. Tellgren, Andre Laestadius

We show that the particle density, $\rho(\mathbf{r})$, and the paramagnetic current density, $\mathbf{j}^{p}(\mathbf{r})$, 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 $(\rho,\mathbf{j}^p)$ is ensemble $(v,\mathbf{A})$-representable by a mixed state formed from $r$ degenerate ground states, then any Hamiltonian $H(v',\mathbf{A}')$ that shares this ground state density pair must have at least $r$ degenerate ground states in common with $H(v,\mathbf{A})$. Thus, any set of Hamiltonians that shares a ground-state density pair $(\rho,\mathbf{j}^p)$ by necessity has at least have one joint ground state.

Publisher URL: http://arxiv.org/abs/1801.09606

DOI: arXiv:1801.09606v1

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