Ewald Sum. Smearing Correction 2.

• Sum interaction of all charges with field correction

  • convenient to stay in real space
  • usually a is chosen so that sum converges within central image

• Total Coulomb energy

• • each term depends on a, but the sum is independent of it
    if enough lattice vectors are used in the reciprocal- and real-space sums
    

• Here is an applet that demonstrate the Ewald method

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