Numerical Grid Methods and Their Application to Schr�dinger's Equation / Edition 1

by C. Cerjan

Overview

The use of numerical grid methods to solve the Schrodinger equation has rapidly evolved in the past decade.The early attempts to demonstrate the computational viability of grid methods have been largely superseded by applications to specific problems and deeper research into more sophisticated quadrature schemes. Underpinning this research, of course, is the belief that the generic nature of grid methods can enjoy a symbiotic development with advances in computer technology, harnessing this technology in an effective manner. The contributions to this proceedings demonstrate these points in full: several applications displayed creative use and extension of existing grid methodology; other research concentrated on the development of new quadrature schemes or mixed numerical methods. The research represented ranges from highly specific spectral simulations of van der Waals complexs to general schemes for reactive scattering. The novelty of grid methods in Density Functional Theory calculations should also be highlighted since it represents an alternative to standard basis set expansion techniques and might offer distinct advantages to the standard techniques. A deliberate attempt was made to present research material with more motivational and background discussion than is typical of research publications. It is hoped that these contributed proceedings will be useful to students and researchers outside the field to have a rapid and complete introduction to many of the exciting uses of grid methodology in atomic and molecular physics. Special thanks are due to the NATO Science Committee for its generous support of the activities of this workshop.

Product Details

ISBN-13:	9789048143085
Publisher:	Springer Netherlands
Publication date:	12/09/2010
Series:	Nato Science Series C: , #412
Edition description:	Softcover reprint of the original 1st ed. 1993
Pages:	248
Product dimensions:	6.10(w) x 9.25(h) x 0.02(d)

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.

Editorial Reviews

Proceedings of a workshop in Corsica, France, in September and October 1992. Papers discuss the fast pseudospectral algorithm in curvilinear coordinates, the hyperquantization algorithm, quantum molecular dynamics and angular momentum projection, Lobatto shape functions, an adiabatic pseudospectral representation of multidimensional molecular potentials, quantum-classical methods, and the multi-configuration Hartree approach. A very short index is provided. Annotation c. Book News, Inc., Portland, OR (booknews.com)

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