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Chemistry
Specialized Chemistry
Quantum Chemistry
1. Introduction to Quantum Chemistry
2. Fundamental Postulates of Quantum Mechanics
3. Exactly Solvable Quantum Systems
4. Approximation Methods
5. Multi-Electron Atoms
6. Chemical Bonding Theory
7. Molecular Symmetry
8. Computational Quantum Chemistry
9. Spectroscopy and Molecular Properties
10. Advanced Topics and Applications
Fundamental Postulates of Quantum Mechanics
Postulate I: State Description
The Wavefunction
Mathematical Properties
Continuity Requirements
Single-Valuedness
Square Integrability
Born Interpretation
Probability Density
Probability Current
Statistical Nature of Quantum Mechanics
Normalization
Normalization Condition
Normalization Constant
Physical Significance
Postulate II: Observable Representation
Quantum Mechanical Operators
Correspondence Principle
Classical to Quantum Mapping
Fundamental Operators
Position Operator
Momentum Operator
Angular Momentum Operators
Hamiltonian Operator
Operator Properties
Linearity
Hermiticity
Commutation Relations
Postulate III: Measurement Process
Eigenvalue Equation
Observable Eigenvalues
Measurement Outcomes
Eigenfunctions as States
Expectation Values
Definition and Calculation
Physical Interpretation
Time Dependence
Probability of Measurement Outcomes
Expansion in Eigenfunctions
Born Rule
Postulate IV: Time Evolution
Time-Dependent Schrödinger Equation
Formulation
Unitary Time Evolution
Conservation Laws
Time Evolution Operator
Relationship to Hamiltonian
Postulate V: Stationary States
Time-Independent Schrödinger Equation
Separation of Variables
Stationary States
Energy Eigenvalue Problem
Superposition Principle
Linear Combinations
Interference Effects
Coherence
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1. Introduction to Quantum Chemistry
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3. Exactly Solvable Quantum Systems