Numerical grid methods and their application to schrödinger's equation
By: edited by Charles Cerjan
Contributors: North Atlantic Treaty Organization. Scientific Affairs Division; NATO Advanced Research Workshop on Grid Methods in Atomic and Molecular Quantum Calculations Corte (1992 : Corsica, France)
Series: NATO ASI series. Series C, Mathematical and physical sciences -- vol. 412; NATO ASI series -- no. 412.
Publisher: Springer Netherlands; Imprint: Springer
Published: 1993
Language: eng
Number of pages: 247
ISBN-13: 9789401582407; 9789048143085
Subjects: Physical Chemistry; Congresses; Schrödinger equation; Math. Applications in Chemistry; Physics; Atomic, Molecular, Optical and Plasma Physics; Numerical grid generation (Numerical analysis)
Description: This book offers a unique perspective on the rapidly growing field of numerical grid methods applied to the solution of the Schr?dinger 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.
Notes: "Published in cooperation with NATO Scientific Affairs Division."

"Proceedings of the NATO Advances Research Workshop on Grid Methods in Atomic and Molecular Quantum Calculations Corte, Corsica, France, September 27 - October 3, 1992"--Title page verso.

Includes bibliographical references and index.

Description based on online resource; title from PDF title page (SpringerLink, viewed October 7, 2013).
Table of contents: title: Fast Pseudospectral Algorithm in Curvilinear Coordinates; title: The Hyperquantization Algorithm; title: Quantum Molecular Dynamics and Angular Momentum Projection; title: Lobatto Shape Functions; title: An Adiabatic Pseudo-Spectral Representation of Multidimensional Molecular Potentials; title: Studies of the Quantum Dynamics of Rydberg Electrons in Superintense Iaser Fields Using Discrete Variable Representations; title: Quantum-Classical Methods; title: The Multi-Configuration Hartree Approach; title: Numerical Calculation of Multicentre Integrals for Polyatomic Molecules; title: The Fourier Method; title: Complex Absorbing Potentials in Time Dependent Quantum Dynamics; title: Finite Element Method for Quantum Scattering.