Overview

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.

Full Product Details

Author:   C. Cerjan
Publisher:   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:  

9789048143085

ISBN 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  
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Table of Contents

Fast 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.

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