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Symmetry-enforced agreement of Kohn--Sham and many-body Berry phases in the SSH--Hubbard chain

Kai Watanabe

Abstract

We study when a density-matching Kohn--Sham (KS) description can reproduce a many-body Berry phase in a correlated insulator, despite the fact that geometric phases are functionals of the wave function. Focusing on the one-dimensional SSH--Hubbard chain on a ring as a controlled interacting topological model, we introduce a $U(1)$ twist $θ$ (flux insertion). The many-body ground state along the full twist cycle is computed by the density-matrix renormalization group (DMRG), while the onsite interaction $U$ is tuned from the noninteracting to the strong-coupling regime. At half filling in the inversion-symmetric gapped regime, our DMRG calculations show that the density remains constant within numerical accuracy over the entire $(θ,U)$ range studied. Thus, the density has no dependence on either the flux $θ$ or the interaction strength $U$. Accordingly, the symmetry-preserving density constraint collapses the KS reference to an SSH-type quadratic representative with $U$-independent geometric diagnostics. Nevertheless, the many-body wave function exhibits a nontrivial geometric response: the quantum metric associated with the $θ$-parametrized ground-state manifold depends on $θ$ at intermediate $U$ and is strongly suppressed at large $U$, consistent with the charge fluctuation freezing. Intriguingly, the KS and many-body Berry phases coincide throughout the gapped regime as $U$ is tuned from weak to strong coupling. We show that this agreement is best understood as symmetry-enforced $\mathbb{Z}_2$ sector matching, rather than as evidence that the density encodes the many-body Berry connection.

Symmetry-enforced agreement of Kohn--Sham and many-body Berry phases in the SSH--Hubbard chain

Abstract

We study when a density-matching Kohn--Sham (KS) description can reproduce a many-body Berry phase in a correlated insulator, despite the fact that geometric phases are functionals of the wave function. Focusing on the one-dimensional SSH--Hubbard chain on a ring as a controlled interacting topological model, we introduce a twist (flux insertion). The many-body ground state along the full twist cycle is computed by the density-matrix renormalization group (DMRG), while the onsite interaction is tuned from the noninteracting to the strong-coupling regime. At half filling in the inversion-symmetric gapped regime, our DMRG calculations show that the density remains constant within numerical accuracy over the entire range studied. Thus, the density has no dependence on either the flux or the interaction strength . Accordingly, the symmetry-preserving density constraint collapses the KS reference to an SSH-type quadratic representative with -independent geometric diagnostics. Nevertheless, the many-body wave function exhibits a nontrivial geometric response: the quantum metric associated with the -parametrized ground-state manifold depends on at intermediate and is strongly suppressed at large , consistent with the charge fluctuation freezing. Intriguingly, the KS and many-body Berry phases coincide throughout the gapped regime as is tuned from weak to strong coupling. We show that this agreement is best understood as symmetry-enforced sector matching, rather than as evidence that the density encodes the many-body Berry connection.
Paper Structure (20 sections, 65 equations, 5 figures, 1 table)

This paper contains 20 sections, 65 equations, 5 figures, 1 table.

Figures (5)

  • Figure 1: Minimum excitation gap along the twist cycle. For each $U$, we evaluate $\Delta_{\mathrm{MB}}^{\min}(U)\equiv \min_{\theta_j}\Delta_{\mathrm{MB}}(\theta_j,U)$ on the discretized twist grid and plot it as a function of $U$.
  • Figure 2: Quantum metric $L^2\langle g_{\theta\theta}\rangle(U)$ as function of $U$. Here $\langle\cdots\rangle_{\rm unwrap}$ denotes the mean over the discretized twist links excluding the wrap-around link $\theta_{N_\theta-1}\to\theta_0$.
  • Figure 3: Heatmap of the geometric response $g_{\theta\theta}(\theta,U)$, normalized by the unwrap average $\langle g_{\theta\theta}\rangle_{\rm unwrap}(U)$ at each fixed $U$. The normalization is introduced solely for visualization purposes, to improve the visibility of the $\theta$ dependence. We restrict to the weak-coupling regime $U\le 5$, since at larger $U$ the $\theta$ variation becomes too small to be visually resolved on the same scale. Additional $U$ points are included to sharpen the $U$ dependence of the pattern: $U=0.6,\,0.9,\,1.2,\,1.5,\,1.8,\,2.1,\,2.4,\,2.5,\,2.7,\,3.5,\,4.5,\,5.0$.
  • Figure 4: Heatmap of the KS geometric response $g^{\mathrm{KS}}_{\theta\theta}(\theta,U)$, normalized by the unwrap average $\langle g^{\mathrm{KS}}_{\theta\theta}\rangle_{\rm unwrap}(U)$ at each fixed $U$. The normalization is introduced solely for visualization purposes, to improve the visibility of the $\theta$ dependence. We restrict to the weak-coupling regime $U\le 5$, since at larger $U$ the $\theta$ variation becomes too small to be visually resolved on the same scale.
  • Figure 5: $\cos(\gamma)$ as a function of $U$ for the interacting many-body state (MB, DMRG) and the Kohn--Sham (KS) reference. Filled circles denote MB results, while open squares denote KS results. The horizontal line at $y=1$ serves as a visual guide.