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Numerical Grid Methods and Their Application to Schrodinger's Equation : NATO Science Series C: - C. Cerjan

Numerical Grid Methods and Their Application to Schrodinger's Equation

NATO Science Series C:

By: C. Cerjan (Editor)

Hardcover Published: 31st July 1993
ISBN: 9780792324232
Number Of Pages: 248

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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in the past decade.The early attempts to demonstrate the computational viability of grid methods have been largely superseded by applications to specific problems and deeper research into more sophisticated quadrature schemes.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 appli- cations displayed creative use and extension of existing grid methodology; other research concentrated on the development of new quadrature schemes or mixed numerical meth- ods. 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.

Preface
List of Participants
List of Contributors
Fast Pseudospectral Algorithm in Curvilinear Coordinatesp. 1
The Hyperquantization Algorithmp. 25
Quantum Molecular Dynamics and Angular Momentum Projectionp. 49
Lobatto Shape Functionsp. 57
An Adiabatic Pseudo-Spectral Representation of Multidimensional Molecular Potentialsp. 69
Studies of the Quantum Dynamics of Rydberg Electrons in Superintense Laser Fields Using Discrete Variable Representationsp. 89
Quantum-Classical Methodsp. 121
The Multi-Configuration Hartree Approachp. 141
Numerical Calculation of Multicentre Integrals for Polyatomic Moleculesp. 153
The Fourier Methodp. 175
Complex Absorbing Potentials in Time Dependent Quantum Dynamicsp. 195
Finite Element Method for Quantum Scatteringp. 207
Indexp. 247
Table of Contents provided by Blackwell. All Rights Reserved.

ISBN: 9780792324232
ISBN-10: 0792324234
Series: NATO Science Series C:
Audience: General
Format: Hardcover
Language: English
Number Of Pages: 248
Published: 31st July 1993
Publisher: SPRINGER VERLAG GMBH
Country of Publication: NL
Dimensions (cm): 23.39 x 15.6  x 1.6
Weight (kg): 0.55

Earn 746 Qantas Points
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