Hyperspherical Harmonics and Generalized Sturmians

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Hyperspherical Harmonics and Generalized Sturmians (Progress in Theoretical Chemistry and Physics) by John S. Avery

English | 2002 | ISBN: 0792360877 | Pages: 208 | PDF | 3,8 MB

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.

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Tags: Sturmians, Generalized, Harmonics, Hyperspherical
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