PreprintCC BY 4.0arXiv
Baldereschi mean value points for three-dimensional Bravais lattices
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.
Versions
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BibTeX
@misc{drummond2026baldereschi,
title = {{Baldereschi mean value points for three-dimensional Bravais lattices}},
author = {N. D. Drummond},
howpublished = {arXiv},
year = {2026},
month = aug,
doi = {10.48550/arxiv.2607.16974},
eprint = {2607.16974},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2607.16974},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Baldereschi mean value points for three-dimensional Bravais lattices
AU - N. D. Drummond
PY - 2026
DA - 2026/08/03
PB - arXiv
DO - 10.48550/arxiv.2607.16974
UR - https://arxiv.org/abs/2607.16974
AB - 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.
ER -