Asymptotic Methods in Quantum Mechanics

Application to Atoms, Molecules and Nuclei

Inbunden, Engelska, 2000

Av S.H. Patil, K.T. Tang, S. H. Patil, K. T. Tang

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This book describes some general properties of wave functions, with an emphasis on their asymptotic behaviour. The asymptotic region is particularly important since it is the wave function in the outer region of an atom, a molecule or a nucleus, which is sensitive to external interaction. An analysis of these properties helps in constructing simple and compact wave functions and in developing a broad understanding of different aspects of the quantum mechanics of many-particle systems. As applications, wave functions with correct asymptotic forms are used to generate a large data base for susceptibilities, polarizabilities, interatomic potentials, and nuclear densities.

Produktinformation

Utgivningsdatum2000-04-26
Mått155 x 235 x undefined mm
FormatInbunden
SpråkEngelska
SerieSpringer Series in Chemical Physics
Antal sidor174
FörlagSpringer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN9783540672401

Tillhör följande kategorier

1. Introduction.- 2. General Properties of Wave Functions.- 2.1 Asymptotic Form of Wave Functions.- 2.2 Asymptotic Perturbed Wave Function.- 2.3 Wave Function for rij ? 0.- 2.4 Wave Function for rij and rik ? 0.- 2.5 Local Satisfaction of Schrödinger Equation.- 2.6 Variational Stationary Property.- 2.7 Variational Approach to Perturbations.- 2.8 Generalised Virial Theorem.- 2.9 A Simple Example.- 3. Two- and Three-Electron Atoms and Ions.- 3.1 A Simple Wave Function.- 3.2 Wave Functions Satisfying Cusp, Coalescence and Asymptotic Conditions.- 3.3 Three-Electron Wave Functions.- 4. Polarizabilities and Dispersion Coefficients.- 4.1 Polarizabilities.- 4.2 Dispersion Coefficients.- 4.3 Alkali Isoelectronic Sequences.- 4.4 Asymptotic Polarizabilities and Dispersion Coefficients.- 5. Asymptotically Correct Thomas-Fermi Model Density.- 5.1 Thomas-Fermi Model.- 5.2 Solution for the Thomas-Fermi Density.- 5.3 Asymptotic Density.- 5.4 Modified Density.- 5.5 Applications.- 6. Molecules and Molecular Ions with One and Two Electrons.- 6.1 Wave Functions for One-Electron Molecular Ions.- 6.2 Energies for One-Electron Molecular Ions.- 6.3 Wave Function for H2 and He2++.- 6.4 Results for the Ground State.- 7. Interaction of an Electron with Ions, Atoms, and Molecules.- 7.1 Atomic Rydberg States.- 7.2 Electron-Atom and Electron-Molecule Scattering at High Energies.- 8. Exchange Energy of Diatomic Systems.- 8.1 Exchange Energy of Dimer Ions.- 8.2 Exchange Energy of Diatomic Molecules.- 9. Inter-atomic and Inter-ionic Potentials.- 9.1 Exchange Energy and Exchange Integral in the Heitler-London Theory.- 9.2 Generalized Heitler-London Theory.- 9.3 Inter-atomic and Inter-ionic Potentials.- 10. Proton and Neutron Densities in Nuclei.- 10.1 Semi-phenomenological Density.- 10.2 Determination of the Parameters.- 10.3 Results.- References.