Long-range interactions: P3M, MMMxD, ELC, MEMD ... - ESPResSo
Long-range interactions: P3M, MMMxD, ELC, MEMD ... - ESPResSo
Long-range interactions: P3M, MMMxD, ELC, MEMD ... - ESPResSo
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
The dipole termhttp://www.icp.uni-stuttgart.deɛ = ɛ ′ 32 1 2( ɛ = 13 1 0 1 3U (d) 2π ∑=(1 + 2ɛ ′ )L 3 i2 1 2ɛ = ɛ ′3q i r i) 2• Ewald sum derived from Poisson’s formula ⇒ intrinsic potential• spherical summation leads to additional term U (d)• polarizable material of dielectric constant ɛ ′ outside sphere• ɛ ′ = 1 corresponds to mathematical sum• ɛ ′ = ∞ (metallic boundary conditions) ⇔ intrinsic potentialA. Arnold <strong>Long</strong>-<strong>range</strong> <strong>interactions</strong> 10/40
Change language