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Contemporary Quantum Chemistry : an Introduction

Author: J Goodisman
Publisher: Boston, MA : Springer US, 1977.
Edition/Format:   eBook : Document : EnglishView all editions and formats
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Genre/Form: Electronic books
Additional Physical Format: Printed edition:
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: J Goodisman
ISBN: 9781468422689 1468422685 9781468422702 1468422707
OCLC Number: 840287938
Description: 1 online resource
Contents: 1. Electrons in Atoms and Molecules --
1.1. Introduction --
1.2. What Do Electrons Look Like? --
1.3. Waves --
Problems --
2. The Wave Equation --
2.1. Derivation of the Wave Equation --
2.2. Solutions to the Wave Equation --
2.3. Numerical Solution --
Appendix. Traveling Waves --
Problems --
3. The One-Dimensional Schrödinger Equation --
3.1. The Wave Function --
3.2. The Particle in the Box --
3.3. What One Can Do with Wave Functions --
3.4. A Dose of Mathematics --
Problems --
4. The Variational Method and the Harmonic Oscillator --
4.1. The Variational Method --
4.2. The Harmonic Oscillator --
4.3. Harmonic Oscillator Energies and the Diatomic Molecule --
4.4. Harmonic Oscillator Wave Functions --
Appendix A. Orthogonality --
Appendix B. Excited States and Variation --
Problems --
5. Three-Dimensional Problems --
5.1. Separation of Variables --
5.2. Spherical Symmetry --
5.3. Angular Equations for Spherical Symmetry --
5.4. The Rotating Diatomic Molecule --
Appendix. The Three-Dimensional Harmonic Oscillator --
Problems --
6. Hydrogenlike Atoms --
6.1. The Radial Equation --
6.2. The Energies --
6.3. Spectra of Hydrogenlike Atoms --
6.4. The Ground State Wave Function --
6.5. Excited State Wave Functions --
Appendix. Numerical Solution --
Problems --
7. Identical Particles --
7.1. Wave Functions for Several Electrons --
7.2. The Pauli Principle and Spin --
7.3. Helium Atom Wave Functions --
Appendix. Electron Repulsion Integral --
Problems --
8. Atomic Structure --
8.1. Variational Calculation for Helium --
8.2. Lithium and the Exclusion Principle --
8.3. The Independent-Electron Model --
8.4. Screening --
8.5. Atomic Properties --
8.6. Angular Momentum --
Appendix. Determinant Wave Functions --
Problems --
9. The Hydrogen Molecule --
9.1. The Diatomic-Molecule Problem --
9.2. H2+ Wave Functions --
9.3. The Hydrogen Molecule --
9.4. The Valence Bond Wave Function --
9.5. Linear Variation --
Appendix. Integral Evaluations --
Problems --
10. Valence Bond Theory --
10.1. Spin Exchange and Resonance --
10.2. Bond Formation --
10.3. Bond Strengths --
Appendix. The Secular Equation --
Problems --
11. Molecular Orbital Theory --
11.1. Return to H2+ and H2 --
11.2. Use of Atomic Orbitals --
11.3. Diatomic Molecules --
11.4. Polyatomic Molecules --
11.5. Semiempirical Procedures --
Problems --
12. Symmetry --
12.1. Symmetry Operations --
12.2. Representations --
12.3. Generating Representations --
12.4. Reducing a Representation --
12.5. Symmetry-Adapted Functions --
12.6. Applications to MO Theory --
Appendix. Two Theorems --
Problems --
13. Time Dependence --
13.1. Time-Dependent Schrödinger Equation --
13.2. Transitions --
13.3. Transitions Due to Light --
13.4. Selection Rules --
13.5. Molecular Spectra --
Appendix. Solutions to Two Problems --
Problems.
Responsibility: by J. Goodisman.

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