Baldereschi mean value points for three-dimensional Bravais lattices
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.
Authors
- N. D. Drummond
Institutions
- Lancaster University (GB)
Publication Details
- Journal
- Journal of Physics Condensed Matter
- Published
- 2026-08-19
- DOI
- https://doi.org/10.1088/1361-648x/ae9c16
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.00