Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Coulomb finite-size effects in quasi-two-dimensional systems
AU - Wood, B.
AU - Foulkes, W. M. C.
AU - Towler, M. D.
AU - Drummond, Neil
PY - 2004/1/30
Y1 - 2004/1/30
N2 - The model periodic Coulomb interaction (Williamson et al 1997 Phys. Rev. B 55 R4851) is a replacement for the Ewald sum, developed to reduce finite-size errors in the simulation of extended 3D systems. We investigate the generalization of this technique to quasi-2D systems; we show through testing in quantum Monte Carlo simulations that while the new interaction reduces the calculation time dramatically it does not reduce finite-size errors. We explain this by analysing the finite-size errors generated when using the Ewald sum.
AB - The model periodic Coulomb interaction (Williamson et al 1997 Phys. Rev. B 55 R4851) is a replacement for the Ewald sum, developed to reduce finite-size errors in the simulation of extended 3D systems. We investigate the generalization of this technique to quasi-2D systems; we show through testing in quantum Monte Carlo simulations that while the new interaction reduces the calculation time dramatically it does not reduce finite-size errors. We explain this by analysing the finite-size errors generated when using the Ewald sum.
U2 - 10.1088/0953-8984/16/6/017
DO - 10.1088/0953-8984/16/6/017
M3 - Journal article
VL - 16
SP - 891
EP - 902
JO - Journal of Physics: Condensed Matter
JF - Journal of Physics: Condensed Matter
SN - 1361-648X
IS - 6
ER -