Self-Consistent Fields in Atoms

Hartree and Thomas–Fermi Atoms

1st Edition - January 1, 1975
Author: N. H. March
Editor: D. Ter Haar
Language: English
eBook ISBN:
9 7 8 - 1 - 4 8 3 1 - 4 0 1 6 - 2

Self-Consistent Fields in Atoms: Hartree and Thomas-Fermi atoms centers on atomic properties- energy levels, binding energies, how atoms scatter X-rays, what magnetic properties… Read more

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Self-Consistent Fields in Atoms: Hartree and Thomas-Fermi atoms centers on atomic properties- energy levels, binding energies, how atoms scatter X-rays, what magnetic properties they have, and so on. This book is organized into two parts. Part I contains topics including central field wave functions and angular momentum operators; concept of self-consistent field; Thomas-Fermi atom; energies of atoms and ions; X-ray scattering and electron densities in atoms; and relativistic effects in heavy atoms. Part II discusses the wave mechanics of an atom with a non-Coulomb central field; the calculation of atomic fields; a statistical method for the determination of some atomic properties and the application of this method to the theory of the periodic system of elements; and a simplification of the Hartree-Fock method.

Outline

Part I

1. Central Field Wave Functions and Angular Momentum Operators

1.1 Introduction

1.2. Angular Momentum and Central Fields

1.3. Shapes of Atomic Wave Functions

Problems

2. Concept of Self-Consistent Field

2.7. Size of Atomic Wave Functions

2.2. Wave Equation for Helium Atom

2.3. Hartree's Self-Consistent Field

Problems

3. Thomas-Fermi Atom

3.1. Classical Energy Equation for Fastest Electron

3.2. Electron Density and Maximum Electronic Momentum

3.3. Electron Density for Coulomb Field

3.4. Approximate Self-Consistent Fields in Atoms and Ions

Problems

4. Energies of Atoms and Ions

4.1. Variational Derivation of Thomas-Fermi Equation

4.2. Evaluation of Total Electronic Energy for Heavy Ions

4.3. Relation between Different Energy Terms for Heavy Atoms

4.4. Foldy's Calculation of Atomic Binding Energies

Problems

5. Other Atomic Properties

5.1. Internal Diamagnetic Field in Atoms

5.2. Orbital Diamagnetic Susceptibility

5.3. Linear Momentum Distribution in Atoms

5.4 Orbital Angular Momentum

5.5. Eigenvalues for Potentials Related to Thomas-Fermi Self-Consistent Fields

Problems

6. X-Ray Scattering and Electron Densities in Atoms

6.1. Coherent Scattering

6.2. Incoherent Scattering

Problems

7. Electron Exchange and Slater Determinants

7.1. Spin-Orbitals and Total Wave Function for Ground State of Helium Atom

7.2. Slater Determinants and Antisymmetric Wave Functions

7.3. Inclusion of Exchange in Thomas-Fermi Theory

7.4. Variational Derivation of Exchange Corrections to Hartree Theory

Problems

8. Electron-Electron Correlation

8.1. Descriptions in Terms of Charge Density

8.2. Exchange and Correlation Holes in Atoms

8.3. Collective Effects

Problems

9. Relativistic Effects in Heavy Atoms

9.1. Dirac Wave Equation

9.2. Central Field Solutions of Dirac Equation

9.3. Relativistic Thomas-Fermi Theory

Problems

Appendices

1.1. Orthogonality of Solutions of Schrödinger Equation

2.1. Radial Wave Functions for Hydrogen Atom

2.2. Variation Method

2.3. Hartree Equations Derived from a Variational Principle

3.1. Solutions of the Dimensionless Thomas-Fermi Equation

5.1. Hamiltonian for Charged Particle in an Electromagnetic Field

5.2. Momentum Wave Functions in Atoms and Wave Equation in Momentum Space

6.1. Morse, Young and Haurwitz Wave Functions for Heavier Atoms

6.2 X-Ray Scattering from Gas of Non-Spherical Molecules

6.3. Self-Consistent Field for H2 Molecule

8.1. Relation Between Charge Density and Its Gradient at Nucleus

9.1. Solution of Dirac Equation for Hydrogen Atom

References

Part II

1. The Wave Mechanics of an Atom with a Non-Coulomb Central Field

2. The Calculation of Atomic Fields

3. A Statistical Method for the Determination of Some Atomic Properties and the Application of This Method to the Theory of the Periodic System of Elements

4. A Simplification of the Hartree-Fock Method

Index