Overview

This work explores the connections between the theory of hyperspherical harmonics, momentum-space quantum theory, and generalized Sturmian basis functions. It also introduces methods which may be used to solve many-particle problems directly, without the use of the self-consistent-field approximation. The method of many-electron Sturmians offers an alternative to the usual SCF-CI methods for calculating atomic and molecular structure. When many-electron Sturmians are used, and when the basis potential is chosen to be the attractive potential of the nuclei in the system, the following advantages are offered: the matrix representation of the nuclear attraction potential is diagonal; the kinetic energy term vanishes from the secular equation; the Slater exponents of the atomic orbitals are automatically optimized; convergence is rapid; a correlated solution to the many-electron problem can be obtained directly, without the use of the SCF approximation; and excited states can be obtained with good accuracy.

Full Product Details

Author:   John S. Avery
Publisher:   Springer-Verlag New York Inc.
Imprint:   Springer-Verlag New York Inc.
Edition:   New edition
Volume:   4
Dimensions:   Width: 15.50cm , Height: 1.10cm , Length: 23.50cm
Weight:   0.660kg
ISBN:  

9781402004094

ISBN 10:   1402004095
Pages:   196
Publication Date:   31 May 2002
Audience:   College/higher education ,  Professional and scholarly ,  Undergraduate ,  Postgraduate, Research & Scholarly
Format:   Paperback
Publisher's Status:   Active
Availability:   In Print  
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Table of Contents

Many-particle Sturmians.- Momentum-space Wave Functions.- Hyperspherical Harmonics.- The Momentum-space Wave Equation.- Many-center Potentials.- Iteration of the Wave Equation.- Molecular Sturmians.- Relativistic Effects.

Reviews

From the reviews: This book should find its place on the shelves of theoretical chemists as a good companion to other well-known books by this author: Creation and annihilation operators and Quantum theory of atoms, molecules and photons . (Theoretical Chemistry Accounts, 106:236 (2001)

From the reviews: <br> This book should find its place on the shelves of theoretical chemists as a good companion to other well-known books by this author: Creation and annihilation operators and Quantum theory of atoms, molecules and photons, <br>(Theoretical Chemistry Accounts, 106: 236 (2001)

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