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arXiv · 2607.16974

Baldereschi mean value points for three-dimensional Bravais lattices

N. D. Drummond
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Abstract

The Baldereschi point of a crystal is a wavevector in the Brillouin zone at which every smooth periodic function of wavevector lies close to its mean value. Although originally introduced in the context of one-electron methods, mean-value points are ideal for explicitly correlated many-electron methods such as quantum Monte Carlo simulations, which can only use a single Bloch wavevector in the Brillouin zone of a simulation supercell. We have therefore evaluated and tabulated the Baldereschi mean-value points of all fourteen three-dimensional Bravais lattices.

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N. D. Drummond. 2026-07-18. Baldereschi mean value points for three-dimensional Bravais lattices. https://doi.org/10.1088/1361-648x%2Fae9c16

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