Symmetry-adapted Basis Sets: Automatic Generation For Problems In Chemistry And Physics

Author:   John Scales Avery (University Of Copenhagen, Denmark) ,  James Emil Avery (Univ Of Copenhagen, Denmark) ,  Sten Rettrup (Univ Of Copenhagen, Denmark)
Publisher:   World Scientific Publishing Co Pte Ltd
ISBN:  

9789814350464


Pages:   240
Publication Date:   03 November 2011
Format:   Hardback
Availability:   Awaiting stock   Availability explained
The supplier is currently out of stock of this item. It will be ordered for you and placed on backorder. Once it does come back in stock, we will ship it out for you.

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Symmetry-adapted Basis Sets: Automatic Generation For Problems In Chemistry And Physics


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Overview

In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding eigenfunctions and eigenvalues for the Hamiltonian of a many-particle system is usually so difficult that it requires approximate methods, the most common of which is expansion of the eigenfunctions in terms of basis functions that obey the boundary conditions of the problem. The computational effort needed in such problems can be much reduced by making use of symmetry-adapted basis functions. The conventional method for generating symmetry-adapted basis sets is through the application of group theory, but this can be difficult. This book describes an easier method for generating symmetry-adapted basis sets automatically with computer techniques. The method has a wide range of applicability, and can be used to solve difficult eigenvalue problems in a number of fields. The book is of special interest to quantum theorists, computer scientists, computational chemists and applied mathematicians.

Full Product Details

Author:   John Scales Avery (University Of Copenhagen, Denmark) ,  James Emil Avery (Univ Of Copenhagen, Denmark) ,  Sten Rettrup (Univ Of Copenhagen, Denmark)
Publisher:   World Scientific Publishing Co Pte Ltd
Imprint:   World Scientific Publishing Co Pte Ltd
Dimensions:   Width: 15.50cm , Height: 2.00cm , Length: 23.10cm
Weight:   0.703kg
ISBN:  

9789814350464


ISBN 10:   981435046
Pages:   240
Publication Date:   03 November 2011
Audience:   College/higher education ,  Professional and scholarly ,  Tertiary & Higher Education ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   Awaiting stock   Availability explained
The supplier is currently out of stock of this item. It will be ordered for you and placed on backorder. Once it does come back in stock, we will ship it out for you.

Table of Contents

General Considerations; Examples from Atomic Physics; Examples from Quantum Chemistry; Generalized Sturmians Applied to Atoms; Molecular Orbitals Based on Sturmians; Examples from Acoustics and Optics; Examples from Heat Conduction; Symmetry-Adapted Solutions by Iteration.

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