Theory Department
Max Planck Institute of Microstructure Physics
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Requist, R., Gross, E. K. U.

Accurate formula for the macroscopic polarization of strongly correlated materials
The Journal of Physical Chemistry Letters(2018)
The many-body Berry phase formula for macroscopic polarization is approximated by a sum of natural orbital geometric phases with fractional occupation numbers accounting for the dominant correlation effects. This formula accurately reproduces the exact polarization in the Rice-Mele-Hubbard model across the band insulator-Mott insulator transition. A similar formula based on a reduced Berry curvature accurately predicts the interaction-induced quenching of Thouless topological charge pumping.