Coulombic Long-Range Correction

• Coulombic interactions must be treated specially

  • very long range
  • 1/r form does not die off as quickly as volume grows
  • finite only because + and – contributions cancel

• Methods

  • Full lattice sum
    Here is an applet demonstrating direct approach
    
    Ewald sum
  • Treat surroundings as dielectric continuum

Previous slide

Next slide

Back to first slide

View graphic version