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arxiv: 2602.18973 · v2 · pith:TOTESLOCnew · submitted 2026-02-21 · ❄️ cond-mat.mes-hall · cond-mat.mtrl-sci

Exact expression for the Berry connection in the projection gauge

classification ❄️ cond-mat.mes-hall cond-mat.mtrl-sci
keywords berryconnectiongaugeprojectionquantitiesangleaxionchern-simons
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The Berry connection encodes the momentum-space geometry of occupied Bloch states in gapped insulators and plays a central role in topological materials. While gauge-invariant quantities can be evaluated from overlap matrices between neighboring $k$ points, accessing the Berry connection itself as a smooth field requires specifying a continuous gauge over the Brillouin zone. Wannier-based workflows achieve this through projection onto localized orbitals, enabling stable evaluation of geometric quantities and response functions. In this setting, the Berry connection enters directly in Wannier-interpolated calculations of polarization, Berry curvature, and related response functions. In practical implementations, however, the projection-gauge Berry connection is typically constructed from finite-difference overlaps between neighboring $k$ points, discretizing momentum derivatives and introducing errors tied to $k$-mesh spacing and gauge alignment. These effects can become numerically delicate in systems with small band gaps or when evaluating higher-order responses such as the Chern-Simons axion angle. Here, we derive an exact expression for the non-Abelian Berry connection in the projection gauge that is local in crystal momentum. Starting from projected and orthonormalized Bloch-like states, we obtain a closed-form equation expressed entirely in terms of $k$-local quantities. We validate the formulation in one and three dimensions by computing the Berry phase and Chern-Simons axion angle in tight-binding models. The resulting framework provides a stable route to evaluating geometric properties within Wannier interpolation schemes and future first-principles implementations.

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  1. Self-consistent evaluation of the Berry connection for Wannier functions

    cond-mat.mtrl-sci 2026-04 unverdicted novelty 7.0

    A matrix-logarithm self-consistent interpolation for the Berry connection improves accuracy over prior schemes by respecting the full overlap matrix structure and relating basis incompleteness to the invariant spread ...