Physics – Chemical Physics
Scientific paper
1998-05-19
Physics
Chemical Physics
Submmitted to Journal of Computational Physics
Scientific paper
A method for performing high order mesh refinement multigrid computations is presented. The Full Approximation Scheme (FAS) multigrid technique is utilized for a sequence of nested patches of increasing resolution. Conservation forms are generated on coarse scales by additional defect correction terms which counter the local excess fluxes at the boundaries. Formulas are given for arbitrary order, extending the existing technique of Bai and Brandt. Test calculations are presented for a singular source in three dimensions which illustrate the multigrid convergence properties, numerical accuracy, and correct order of the approach. Applications for all electron quantum chemical computations are discussed.
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