Numerical Grid Methods and Their Application to Schroedinger’s Equation

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This book offers a unique perspective on the rapidly growing field of numerical grid methods applied to the solution of the Schrodinger equation. Several articles provide comprehensive reviews of the discrete variable and pseudo-spectral operator representation. The applications include sophisticated refinements of the basic approaches with emphasis on successful parallel implementation. The range of problems considered is broad including reactive scattering, photoexcitation processes, mixed quantum–classical methodology, and density functional electronic structure calculations. The book thus serves as a direct introduction to numerical grid methods and as a guide to future research.