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Original Articles

An Alternative to Ewald Sums. Part 3: Implementation and Results

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Pages 61-74 | Received 01 Jun 2000, Accepted 01 Jul 2000, Published online: 23 Sep 2006

References

  • Ewald , P. P. 1920 . Die Berechnung optischer und elektrostatischer Gitterpotentiale . Ann. Phys. , 64 : 253 – 287 .
  • Hockney , R. W. and Eastwood , C. R. 1981 . Computer Simulation Using Particles , New York : McGraw-Hill .
  • De Leeuw , S. W. , Perram , J. W. and Smith , E. R. 1980 . Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constants . Proc. R. Soc. Lond. , A373 : 27 – 56 .
  • Lekner , John . 1998 . Coulomb forces and potentials in systems with an orthorhombic unit cell . Molecular Simulation , 20 ( 6 ) : 357 – 368 .
  • Sperb , R. 1998 . An alternative to Ewald sums. part 1: Identities for sums . Molecular Simulation , 20 ( 3 ) : 179 – 200 .
  • Sperb , R. 1999 . An alternative to Ewald sums. part 2: The Coulomb potential in a periodic system . Molecular Simulations , 22 ( 3 ) : 199 – 212 .
  • Strebel , Rolf . February 2000 . Pieces of software for the Coulombic in body problem , February , Zürich : ETH . Ph. D. Thesis, Diss. ETH No. 13504. available by anonymous ftp as ftp://ftp.inf.ethz.ch./pub/publications/diss/th13504.ps

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