Hyperspherical Harmonics and Generalized Sturmians / Edition 1

by John S. Avery

Overview

This book explores the connections between the theory of hyperspherical harmonics, momentum-space quantum theory, and generalized Sturmian basis functions; and it 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 interesting and fresh 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.

Product Details

ISBN-13:	9780792360872
Publisher:	Springer Netherlands
Publication date:	11/30/1999
Series:	Progress in Theoretical Chemistry and Physics , #4
Edition description:	2002
Pages:	196
Product dimensions:	6.10(w) x 9.25(h) x 0.02(d)

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.

Editorial 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 Publisher