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Finite difference Poisson-Boltzmann electrostatic calculations: Increased accuracy achieved by harmonic dielectric smoothing and charge antialiasing.

Robert E. BruccoleriJiri NovotnyMalcolm E. DavisKim A. Sharp
Published in: J. Comput. Chem. (1997)
Keyphrases
  • finite difference
  • gaussian smoothing
  • finite element
  • diffusion equation
  • numerical solution
  • partial differential equations
  • numerical analysis
  • higher order