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Baldereschi mean value points for three-dimensional Bravais lattices

Materials Science 2026-07-18 v1

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.

Cite

@article{arxiv.2607.16974,
  title  = {Baldereschi mean value points for three-dimensional Bravais lattices},
  author = {N. D. Drummond},
  journal= {arXiv preprint arXiv:2607.16974},
  year   = {2026}
}

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14 pages