P3M algorithm for dipolar interactions.

@article{Cerd2008P3MAF,
  title={P3M algorithm for dipolar interactions.},
  author={J. J. Cerd{\`a} and V. Ballenegger and O. Lenz and C. Holm},
  journal={The Journal of chemical physics},
  year={2008},
  volume={129 23},
  pages={
          234104
        }
}
  • J. J. Cerdà, V. Ballenegger, +1 author C. Holm
  • Published 2008
  • Physics, Medicine, Chemistry
  • The Journal of chemical physics
  • An extension to the P(3)M algorithm for electrostatic interactions is presented that allows to efficiently compute dipolar interactions in periodic boundary conditions. Theoretical estimates for the root-mean-square error of the forces, torques, and the energy are derived. The applicability of the estimates is tested and confirmed in several numerical examples. A comparison of the computational performance of the new algorithm to a standard dipolar-Ewald summation methods shows a performance… CONTINUE READING

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