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. Author manuscript; available in PMC: 2016 Nov 18.
Published in final edited form as: J Phys Chem B. 2016 May 20;120(33):8707–8721. doi: 10.1021/acs.jpcb.6b04439

Table A.1.

Maximum convergence error of finite-difference Green’s function values when Δx, Δy, Δz ≤ 40 or Δx, Δy, Δz ≤ 20.

Grid dimension Max error (Δxyz ≤ 40) Max error (Δxyz ≤ 20)
481×481×481 1.1×10−7 5.7×10−8
601×601×601 5.1×10−8 2.5×10−8
721×721×721 2.6×10−8 1.3×10−8
841×841×841 1.4×10−8 7.3×10−9
961×961×961 NA NA