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Chapt 1. The Concepts of Quantum Mechanics
1.1 Basic Frinciples of Quantum Mechanics
1.1.1 The Need for Quantum Mechanics
1.1.2 Diffraction of Light
1.1.3 Electrons
1.1.4 The Schrodinger Equation
1.1.5 The Form of the Hamiltonian
1.1.6 More on the Schrodinger Equation
1.1.6a The Hilbert Space
1.1.6b Hermitian Operators
1.1.7 Analysis of Kinetic Energy and Potential Energy
1.2 The Ground State of Hydrogen Atom
1.2.1 Atoms Exist!
1.2.2 The Ground State Wavefunction
1.2.3 Atomic Units
1.2.3a Conversion Factors
1.3 The Nodal Theorem
1.3.1 The Ground State is Nodeless
1.3.2 Multidimensions
1.4 Vibration and Rotation

Chapt 2: The Chemical Bond: H2+ and H2
29 The Chemical Bond in H2+ and H2
2.1 Origin of the Bond in H2+
2 1.1 LCAO Description
2.2.la Electrostatic Energy
2.1.1b Kinetic Energy
2.1.2 Bonding to p Orbitals
2.1.3 The Optimum Distance for Bonds
2.1.4 Symmetry Considerations
2.1.4.a The Hamiltonian
2.1.4.b Inversion Symmetry
2.1.4 The Nodal Theorem
2.1.5 The Exchange Energy
2.1.5a The Classical Ewrgy
2.1.3b The Exchange Energy
2.1.5c Comparison of g and u States
2.1.5d Analytic Results
2.1.5e Contragradience
2.1.5f Historical Development
2.2 The Molecular Orbital Description of HZ
2.2.1 Energies
2.2.2 Symmetries
2.2.2a Inversion
2.2.2b Permutational Symmetry
2.2.2c The u States
2.2.2d Quantitative Aspects of the Energies for the u States
2.2.3 Potential Curves
2.3 The Valence Bond Description of H2
2.3.1 The Covalent States
2.3.2 Symmetry
2.3.3 Comparison of VB and MO Wavefunctions
2.3.3a Ground State
2.3.3b The u States
2.3.3c The Second g State
2.3.4 Quantitative Analysis of Bonding in H2

Chapt 3: More Exact Wavefunctions for One- and Two-Electron Systems
3.1 The Variationl Princple
3.1.1 Discussion of Upper Bound Theorem
3.1.2 Discussion of the Variational Principle
2a Parameter Optimization
3.1.3 Basis Set Expansions
3.2 Accucrate Wavefunction H2+
3.2.1 Scaled LCAO Wavefunctions
3.2.2 The Exact Wavefunction of H2+
3.2.3 Comparison of Wavefunctions and Energies
3.3 More on the Chemical Bond
3.3.1 The Classical and Exchange Energies
3.5 Overview of Theoretical Methods
3.5.1.1 Basis Sets
3.5.1.2 The Hartree Fock Method
3.5.1.3 The Generalized Valence Bond Method
3.5.1.3a The Basic Equations
3.5.1.3b Interpretation
3.5.1.3c GVB Natural Orbitals
3.5.1.4 Electron Correlations
3.5.1.4a Ionization Potentials
3.5.1.5 Configuration Interaction Wavefunctions
3.6 Wavefunctions for He
3.6.1 HF Wavefunctions for He Atom
3.6.la MBS
3.6.1b Bigger Basis Sets
3.6.2 The GVB Wavefunction for H2
3.6.3. CI Wavefunctions for He
3.6.3a Interpretaion of the CI Wavefunction
3.6.3b Notations

3.7 Wavefunction for H2
3.7.1 HF Wavefunction
3.7.2 The GVB Wavefunction for H2
3.7.2a. Energy Analysis
3.7.3a. Notations

3.8 Open Shell Notations

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