Hyperspherical Harmonics and Generalized Sturmians

ISBN-13: 9781402004094 / Angielski / Miękka / 2002 / 196 str.

J. Avery; John S. Avery

Opis

n Angular Momentum Theory for Diatomic Molecules, R R method of trees, 3 construct the wave functions of more complicated systems for ex- ple many electron atoms or molecules. However, it was soon realized that unless the continuum is included, a set of hydrogenlike orbitals is not complete. To remedy this defect, Shull and Lowdin 273] - troduced sets of radial functions which could be expressed in terms of Laguerre polynomials multiplied by exponential factors. The sets were constructed in such a way as to be complete, i. e. any radial fu- tion obeying the appropriate boundary conditions could be expanded in terms of the Shull-Lowdin basis sets. Later Rotenberg 256, 257] gave the name "Sturmian" to basis sets of this type in order to emp- size their connection with Sturm-Liouville theory. There is a large and rapidly-growing literature on Sturmian basis functions; and selections from this literature are cited in the bibliography. In 1968, Goscinski 138] completed a study ofthe properties ofSt- rnian basis sets, formulating the problem in such a way as to make generalization of the concept very easy. In the present text, we shall follow Goscinski's easily generalizable definition of Sturmians.

Recenzje

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)

Spis treści

Introduction. 1. Many-Particle Sturmians. 2. Momentum-Space Wave Functions. 3. Hyperspherical Harmonics. 4. The Momentum-Space Wave Equation. 5. Many-Center Potentials. 6. Iteration of the Wave Equation. 7. Molecular Sturmians. 8. Relativistic Effects. A. Generalized Slater-Condon Rules. B. Coulomb and Exchange Integrals for Atoms. Solutions to the Exercises. Bibliography. Index.