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Author:   S.H. Patil ,  K.T. Tang
Publisher:   Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Imprint:   Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Edition:   Softcover reprint of the original 1st ed. 2000
Volume:   64
Dimensions:   Width: 15.50cm , Height: 1.00cm , Length: 23.50cm
Weight:   0.302kg
ISBN:  

9783642631375

ISBN 10:   3642631371
Pages:   174
Publication Date:   24 October 2012
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Manufactured on demand  
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Table of Contents

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.- 3.1.1 Energy.- 3.1.2 Multipolar Potential Perturbation.- 3.1.3 Third Order Energy Shifts.- 3.2 Wave Functions Satisfying Cusp, Coalescence and Asymptotic Conditions.- 3.2.1 Behaviour for ri ? 0.- 3.2.2 Correlation Function.- 3.2.3 Results for the Unperturbed Ground State.- 3.2.4 Multipolar Polarizabilities and Hyperpolarizabilities.- 3.2.5 Wave Functions for Excited States.- 3.3 Three-Electron Wave Functions.- 4. Polarizabilities and Dispersion Coefficients.- 4.1 Polarizabilities.- 4.1.1 Perturbative Expression.- 4.1.2 Hyperpolarizabilities.- 4.1.3 Dynamic Polarizabilities.- 4.2 Dispersion Coefficients.- 4.2.1 Relation to Dynamic Polarizabilities.- 4.2.2 Three-Body Dispersion Coefficients.- 4.3 Alkali Isoelectronic Sequences.- 4.3.1 The Wave Function.- 4.3.2 Polarizabilities.- 4.3.3 Hyperpolarizabilities and Dispersion Coefficients.- 4.4 Asymptotic Polarizabilities and Dispersion Coefficients.- 4.4.1 Asymptotic Polarizabilities.- 4.4.2 Polarizabilities of He and Ne Systems.- 4.4.3 Asymptotic Behaviour of the Effective Energy.- 4.4.4 Dispersion Coefficients for H, He and Ne.- 5. Asymptotically Correct Thomas-Fermi Model Density.- 5.1 Thomas-Fermi Model.- 5.1.1 Statistical Approach.- 5.1.2 WKB Approach.- 5.2 Solution for the Thomas-Fermi Density.- 5.3 Asymptotic Density.- 5.4 Modified Density.- 5.5 Applications.- 5.5.1 Expectation Values ?r2n?.- 5.5.2 Multipolar Polarizabilities.- 5.5.3 Dispersion Coefficients.- 6. Molecules and Molecular Ions with One and Two Electrons.- 6.1 Wave Functions for One-Electron Molecular Ions.- 6.1.1 Cusp Condition.- 6.1.2 Asymptotic Behaviour.- 6.2 Energies for One-Electron Molecular Ions.- 6.3 Wave Function for H2 and He2++.- 6.3.1 Molecular Orbital Type of Wave Function.- 6.3.2 Atomic Orbital Type of Wave Function.- 6.3.3 General Wave Function.- 6.3.4 Correlation Function.- 6.4 Results for the Ground State.- 6.4.1 Ground State Energies.- 6.4.2 Discussion.- 7. Interaction of an Electron with Ions, Atoms, and Molecules.- 7.1 Atomic Rydberg States.- 7.1.1 Perturbation Approach for Anti-symmetric Wave Functions.- 7.1.2 The Perturbed Hamiltonian.- 7.1.3 Asymptotic Core Density and Density Matrix.- 7.1.4 Penetration Energy.- 7.1.5 Exchange Energy.- 7.1.6 Second Order Terms.- 7.1.7 Total Energy Shift.- 7.1.8 Results.- 7.2 Electron-Atom and Electron-Molecule Scattering at High Energies.- 7.2.1 Perturbation Series for the Scattering Amplitude.- 7.2.2 Scattering Amplitude at High Energies.- 7.2.3 Electron-Atom Scattering.- 7.2.4 Electron-Molecule Scattering.- 8. Exchange Energy of Diatomic Systems.- 8.1 Exchange Energy of Dimer Ions.- 8.1.1 Exchange Energy of the H2+ Molecular Ion by Surface Integral Method.- 8.1.2 Exchange Energy of Multielectron Dimer Ions.- 8.2 Exchange Energy of Diatomic Molecules.- 8.2.1 Exchange Energy of the H2 Molecule.- 8.2.2 Exchange Energy of Multielectron 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.- 9.2.1 Unsymmetrized (Polarization) Perturbation Method.- 9.2.2 Symmetry Imposed Generalised Heitler-London Equation.- 9.2.3 Asymptotic Exchange Energy and Polarization Approximation.- 9.3 Inter-atomic and Inter-ionic Potentials.- 9.3.1 The 3?u State Potential of the H2 Molecule.- 9.3.2 The 2?u State Potentials of Alkali Dimer Cations.- 9.3.3 The Potential of Rare Gas Dimers.- 10. Proton and Neutron Densities in Nuclei.- 10.1 Semi-phenomenological Density.- 10.2 Determination of the Parameters.- 10.3 Results.- References.

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This is a monograph ... . It is intended for researchers and graduate students in chemical physics and related areas. (Tuncay Aktosun, zbMATH 0947.81002, 2022)

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