Nguồn ngoài
Quantum States of Atoms and Molecules
This is an introduction to quantum mechanics as it relates to spectroscopy, the electronic structure of atoms and molecules, and molecular properties. A digital, living textbook, it provides opportunities not found in conventional textbooks—opportunities that allow students to develop skills in information processing, critical thinking or analytical reasoning, and problem solving that are so important for success.
- Tác giả
- Zielinksi et al.
- Nhà xuất bản
- Chemical Education Digital Library
- Nguồn
- LibreTexts
- Giấy phép
- CC BY-NC-SA
- Ngôn ngữ
- EN
- Danh mục
- Khoa học cơ bản
Mục lục· 101 mục
- 01: Spectroscopy
- 02: Foundations of Quantum Mechanics
- 2.0E: 2.E: Foundations of Quantum Mechanics (Exercises)
- 2.0S: 2.S: Foundations of Quantum Mechanics (Summary)
- 2.01: Prelude to the Foundations of Quantum Mechanics
- 2.02: Black-Body Radiation
- 2.03: Photoelectric Effect
- 2.04: The Compton Effect
- 2.05: Hydrogen Luminescence
- 2.06: Early Models of the Hydrogen Atom
- 2.07: Derivation of the Rydberg Equation from Bohr's Model
- 2.08: Summary of Bohr's Contribution
- 2.09: The Wave Properties of Matter
- 03: The Schrodinger Equation
- 3.0E: 3.E: The Schrodinger Equation (Exercises)
- 3.01: Introduction
- 3.02: A Classical Wave Equation
- 3.03: Invention of the Schrodinger Equation
- 3.04: Operators Eigenfunctions Eigenvalues and Eigenstates
- 3.05: Momentum Operators
- 3.06: The Time-Dependent Schrodinger Equation
- 3.07: Meaning of the Wavefunction
- 3.08: Expectation Values
- 3.09: Postulates of Quantum Mechanics
- 04: Electronic Spectroscopy of Cyanine Dyes
- 4.0E: 4.E: Electronic Spectroscopy of Cyanine Dyes (Exercises)
- 4.0S: 4.S: Electronic Spectroscopy of Cyanine Dyes (Summary)
- 4.01: Introduction
- 4.02: Cyanine Dyes
- 4.03: The Particle-in-a-Box Model
- 4.04: Spectroscopy of the Particle-in-a-Box Model
- 4.05: The Transition Dipole Moment and Spectroscopic Selection Rules
- 4.06: Selection Rules for the Particle-in-a-Box
- 4.07: Using Symmetry to Identify Integrals that are Zero
- 4.08: Other Properties of the Particle-in-a-Box
- 4.09: Properties of Quantum Mechanical Systems
- 05: Translational States
- 5.0E: 5.E: Translational States (Exercises)
- 5.0S: 5.S: Translational States (Summary)
- 5.01: The Free Particle
- 5.02: The Uncertainty Principle
- 5.03: Linear Combinations of Eigenfunctions
- 06: Vibrational States
- 6.0S: 6.S: Vibrational States (Exercises)
- 6.0S: 6.S: Vibrational States (Summary)
- 6.01: Spatial Degrees of Freedom Normal Coordinates and Normal Modes
- 6.02: Classical Description of the Vibration of a Diatomic Molecule
- 6.03: Quantum-Mechanical Description of the Harmonic Oscillator
- 6.04: Harmonic Oscillator Properties
- 6.05: Quantum Mechanical Tunneling
- 6.06: Harmonic Oscillator Selection Rules
- 07: Rotational States
- 7.0E: 7.E: Rotational States (Exercises)
- 7.01: Introduction to Rotation
- 7.02: The Hamiltonian Operator for Rotational Motion
- 7.03: Solving the Rigid Rotor Schrodinger Equation
- 7.04: Angular Momentum Operators and Eigenvalues
- 7.05: Quantum Mechanical Properties of Rotating Diatomic Molecules
- 7.06: Rotational Spectroscopy of Diatomic Molecules
- 7.07: Overview of the Rigid Rotor
- 08: The Hydrogen Atom
- 8.0E: 8.E: The Hydrogen Atom (Exercises)
- 8.0S: 8.S: The Hydrogen Atom (Summary)
- 8.01: The Schrodinger Equation
- 8.02: The Wavefunctions
- 8.03: Orbital Energy Levels Selection Rules and Spectroscopy
- 8.04: Magnetic Properties and the Zeeman Effect
- 8.05: Discovering Electron Spin
- 8.06: Other One-Electron Systems
- 8.07: Spin-Orbitals and Electron Configurations
- 8.08: Coupling of Angular Momentum and Spectroscopic Term Symbols
- 09: The Electronic States of the Multielectron Atoms
- 9.0E: 9.E: The Electronic States of the Multielectron Atoms (Exercises)
- 9.0S: 9.S: The Electronic States of the Multielectron Atoms (Summary)
- 9.01: The Schrodinger Equation For Multi-Electron Atoms
- 9.02: Solution of the Schrodinger Equation for Atoms- The Independent Electron Approximation
- 9.03: Perturbation Theory
- 9.04: The Variational Method
- 9.05: Single-electron Wavefunctions and Basis Functions
- 9.06: Electron Configurations The Pauli Exclusion Principle The Aufbau Principle and Slater Determinants
- 9.07: The Self-Consistent Field Approximation (Hartree-Fock Method)
- 9.08: Configuration Interaction
- 9.09: Chemical Applications of Atomic Structure Theory
- 9.9.9A: 9.9.9A: Total Electronic Energies
- 9.9.9B: 9.9.9B: Orbital Energies
- 9.9.9C: 9.9.9C: Atomic Sizes and Electron Density Distributions
- 9.9.9D: 9.9.9D: Ionization Potentials
- 9.9.9E: 9.9.9E: Electron Affinity
- 10: Theories of Electronic Molecular Structure
- 10.0E: 10.E: Theories of Electronic Molecular Structure (Exercises)
- 10.0S: 10.S: Theories of Electronic Molecular Structure (Summary)
- 10.01: The Born-Oppenheimer Approximation
- 10.02: The Orbital Approximation and Orbital Configurations
- 10.03: Basis Functions
- 10.04: The Case of H
- 10.05: Homonuclear Diatomic Molecules
- 10.06: Semi-Empirical Methods- Extended Huckel
- 10.07: Mulliken Populations
- 10.08: The Self-Consistent Field and the Hartree-Fock Limit
- 10.09: Correlation Energy and Configuration Interaction
- 10.10: Electronic States