A three-dimensional Ewald summation formula with a shape-dependent correction term for Coulomb interactions in systems with one-dimensional periodicity is derived. Test molecular dynamics simulations of acetone molecules in cylindrical silica pores show that the formula is efficient only when size of the system in a plane perpendicular to the periodicity direction is small in comparison with the periodicity length.
No takes yet. Share an insight, caveat, or question.
Bródka et al. (2004) studied this question.
Synapse has enriched 3 closely related papers on similar clinical questions. Consider them for comparative context: