Highly accurate and efficient algorithm for electrostatic interaction of charged particles confined by metallic parallel plates

摘要

We present an accurate and efficient algorithm to calculate the electrostaticinteraction of charged point particles with partially periodic boundaryconditions that are confined along the nonperiodic direction by two metallicparallel plates. The method preserves the original boundary conditions andhence, it does not introduce any kind of artifacts. In addition, it enjoys thequasilinear complexity of $\mathcal{O}(N\ln(N))$, where $N$ being the number ofparticles in the simulation box. In fact, based on the superposition principlein electrostatics, the problem is split into two electrostatic problems whereeach one can be calculated by the appropriate Poisson solver. In this paper weapply the method to sodium chloride ultrathin films and investigate itsdielectric response with respect to external bias voltage. We show howaccurately in this method one can obtain the total charge induced on metallicboundaries to an arbitrary precision.