A multipole-based algorithm for efficient calculation of forces and potentials in macroscopic periodic assemblies of particles (Q1924693): Difference between revisions

The authors consider the problem of determining the electrostatic fields due to very large numbers of electric charges situated in macroscopic periodic assemblies. They present algorithms for these calculations and show that for a cubic lattice with a unit cell containing \(3^{3k}n\) particles the order of time of calculation is \(O(nk^2+k^3\log k)\). The results of a number of calculations are given and the relation with Eward sum techniques is discussed. Suggestions for future work are made.