Fully adaptive algorithms for multivariate integral equations using the non-standard form and multiwavelets with applications to the Poisson and bound-state Helmholtz kernels in three dimensions

We have developed and implemented a general formalism for fast numerical solution of time-independent linear partial differential equations as well as integral equations through the application of numerically separable integral operators in d 1 dimensions using the non-standard (NS) form. The proposed formalism is universal, compact and oriented towards the practical implementation into a working code using multiwavelets. The formalism is applied to the case of Poisson and bound-state Helmholtz operators in d = 3. Our algorithms are fully adaptive in the sense that the grid supporting each function is obtained on the fly while the function is being computed. In particular, when the function g = O f is obtained by applying an integral operator O, the corresponding grid is not obtained by transferring the grid from the input function f. This aspect has significant implications that will be discussed in the numerical section. The operator kernels are represented in a separated form with finite but arbitrary precision using Gaussian functions. Such a representation combined with the NS form allows us to build a sparse, banded representation of Green's operator kernel. We have implemented a code for the application of such operators in a separated NS form to a multivariate function in a finite but, in principle, arbitrary number of dimensions. The error of the method is controlled, while the low complexity of the numerical algorithm is kept. The implemented code explicitly computes all the 2(2d) components of the d-dimensional operator. Our algorithms are described in detail in the paper through pseudo-code examples. The final goal of our work is to be able to apply this method to build a fast and accurate Kohn-Sham solver for density functional theory.