ELIMINATION OF COULOMB FINITE-SIZE EFFECTS IN QUANTUM MANY-BODY SIMULATIONS

Authors
WILLIAMSON AJ RAJAGOPAL G NEEDS RJ FRASER LM FOULKES WMC WANG Y CHOU MY
Citation
Aj. Williamson et al., ELIMINATION OF COULOMB FINITE-SIZE EFFECTS IN QUANTUM MANY-BODY SIMULATIONS, Physical review. B, Condensed matter, 55(8), 1997, pp. 4851-4854
Citations number
15
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
55
Issue
8
Year of publication
1997
Pages
4851 - 4854
Database
ISI
SICI code
0163-1829(1997)55:8<4851:EOCFEI>2.0.ZU;2-K
Abstract
A model interaction is introduced for quantum many-body simulations of Coulomb systems using periodic I boundary conditions. The interaction gives much smaller finite size effects than the standard Ewald intera ction and is also much faster to compute. Variational quantum Monte Ca rlo simulations of diamond-structure silicon with up to 1000 electrons demonstrate the effectiveness of our method.