On the evaluation of quasi-periodic Green functions and wave-scattering at and around Rayleigh-Wood anomalies

•General, full-spectrum, well-conditioned, Green-function methodology.•Applicable even at and around Wood anomalies.•General quasi-periodic scattering structures, including particle arrays and scattering surfaces in two- and three-dimensional space.•Fast and highly-accurate quasi-periodic solvers for quasi-periodic problems in two and three dimensions including one dimension of periodicity in two dimensions, and either one or two directions of periodicity in three dimensions. This article presents full-spectrum, well-conditioned, Green-function methodologies for evaluation of scattering by general periodic structures, which remains applicable on a set of challenging singular configurations, usually called Rayleigh-Wood (RW) anomalies (at which the quasi-periodic Green function ceases to exist), where most existing quasi-periodic solvers break down. After reviewing a variety of existing fast-converging numerical procedures commonly used to compute the classical quasi-periodic Green-function, the present work explores the difficulties they present around RW-anomalies and introduces the concept of hybrid “spatial/spectral” representations. Such expressions allow both the modification of existing methods to obtain convergence at RW-anomalies as well as the application of a slight generalization of the Woodbury-Sherman-Morrison formulae together with a limiting procedure to bypass the singularities. (Although, for definiteness, the overall approach is applied to the scalar (acoustic) wave-scattering problem in the frequency domain, the approach can be extended in a straightforward manner to the harmonic Maxwell's and elasticity equations.) Ultimately, this thorough study of RW-anomalies yields fast and highly-accurate solvers, which are demonstrated with a variety of simulations of wave-scattering phenomena by arrays of particles, crossed impenetrable and penetrable diffraction gratings and other related structures. In particular, the methods developed in this article can be used to “upgrade” classical approaches, resulting in algorithms that are applicable throughout the spectrum, and it provides new methods for cases where previous approaches are either costly or fail altogether. In particular, it is suggested that the proposed shifted Green function approach may provide the only viable alternative for treatment of three-dimensional high-frequency configurations with either one or two directions of periodicity. A variety of computational examples are presente