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Hyperspherical Harmonics And Generalized Sturmians (progress In Theoretical Chemistry And Physics) 🔍
John S. Avery Springer Netherlands, Springer Nature, New York, 2002
英语 [en] · PDF · 7.3MB · 2002 · 📗 未知类型的图书 · 🚀/ia · Save
描述
"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." "The book will be of interest to advanced students and research workers in theoretical chemistry, physics and mathematics."--BOOK JACKET.
备选作者
Avery, John, 1933-
备选作者
by John Avery
备用出版商
Dordrecht ; Boston: Kluwer Academic Publishers
备用版本
Progress in theoretical chemistry and physics -- v. 4, Dordrecht, Boston, Netherlands, 2000
备用版本
Progress in theoretical chemistry and physics, Dordrecht, 2002
备用版本
United States, United States of America
备用版本
1st edition, November 30, 1999
备用版本
2002, 1999
元数据中的注释
tight binding on some pages
元数据中的注释
Includes bibliographical references and index.
元数据中的注释
MChB
备用描述
<p><P>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&#58; 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.</p>
备用描述
This text 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
备用描述
Progress in Theoretical Chemistry and Physics
Erscheinungsdatum: 30.11.1999
备用描述
196 p. : 25 cm
Includes bibliographical references (p. 163-192) and index
开源日期
2023-06-28
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