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OverviewThis 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. Full Product DetailsAuthor: C. CerjanPublisher: Springer Imprint: Springer Edition: Softcover reprint of the original 1st ed. 1993 Volume: 412 Dimensions: Width: 15.50cm , Height: 1.40cm , Length: 23.50cm Weight: 0.454kg ISBN: 9789048143085ISBN 10: 904814308 Pages: 248 Publication Date: 15 December 2010 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: Out of stock ![]() The supplier is temporarily out of stock of this item. It will be ordered for you on backorder and shipped when it becomes available. Table of ContentsFast Pseudospectral Algorithm in Curvilinear Coordinates.- The Hyperquantization Algorithm.- Quantum Molecular Dynamics and Angular Momentum Projection.- Lobatto Shape Functions.- An Adiabatic Pseudo-Spectral Representation of Multidimensional Molecular Potentials.- Studies of the Quantum Dynamics of Rydberg Electrons in Superintense Iaser Fields Using Discrete Variable Representations.- Quantum-Classical Methods.- The Multi-Configuration Hartree Approach.- Numerical Calculation of Multicentre Integrals for Polyatomic Molecules.- The Fourier Method.- Complex Absorbing Potentials in Time Dependent Quantum Dynamics.- Finite Element Method for Quantum Scattering.ReviewsAuthor InformationTab Content 6Author Website:Countries AvailableAll regions |