Hyperspherical Harmonics and Generalized Sturmians
by Avery, John
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, …
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- Full title :Hyperspherical Harmonics and Generalized Sturmians / by John Avery.
Summary
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.
Read More ↓Edition Statements
- Publication Date:2002.
Publication Statements
- Publisher(s):Springer Netherlands
- Place of Publication:Dordrecht
- Language:eng
- Publication Date:2002.
The Physical Object
- Description:1 online resource
Edition Identifiers
- ISBN:9780306469442, 0306469448, 9780792360872, 0792360877
- DOI:10.1007/0-306-46944-8
- oclc:ocn858864786
- LC Classification:QD462.6.M36
- Dewey Decimal:541.2/8
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.
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