Elimination of Coulomb finite-size effects in quantum many-body simulations

Citation:
Williamson, AJ, Rajagopal G, Needs RJ, Fraser LM, Foulkes WMC, Wang Y, Chou MY.  1997.  Elimination of Coulomb finite-size effects in quantum many-body simulations, Feb. Physical Review B. 55:R4851-R4854., Number 8

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 interaction and is also much faster to compute. Variational quantum Monte Carlo simulations of diamond-structure silicon with up to 1000 electrons demonstrate the effectiveness of our method.

Notes:

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