Quantum States of Atoms and Molecules

by Zielinksi et al.

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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.

Description from LibreTexts.

Publisher
Chemical Education Digital Library
Subjects
Chemistry, Physical and Theoretical Chemistry Textbook Maps
Licence
CC BY-NC-SA 4.0, as LibreTexts states it. Non-commercial use only.
Who can read
Tweens profiles and older, judged from its title and subjects

Contents

LibreTexts writes equations in TeX, and here they show as TeX; the PDF has them typeset.

  1. Front Matter
  2. TitlePage
  3. InfoPage
  4. Table of Contents
  5. Licensing
  6. 1: Spectroscopy
  7. 2: Foundations of Quantum Mechanics
  8. 2.1: Prelude to the Foundations of Quantum Mechanics
  9. 2.2: Black-Body Radiation
  10. 2.3: Photoelectric Effect
  11. 2.4: The Compton Effect
  12. 2.5: Hydrogen Luminescence
  13. 2.6: Early Models of the Hydrogen Atom
  14. 2.7: Derivation of the Rydberg Equation from Bohr's Model
  15. 2.8: Summary of Bohr's Contribution
  16. 2.9: The Wave Properties of Matter
  17. 2.E: Foundations of Quantum Mechanics (Exercises)
  18. 2.S: Foundations of Quantum Mechanics (Summary)
  19. 3: The Schrödinger Equation
  20. 3.1: Introduction to the Schrödinger Equation
  21. 3.2: A Classical Wave Equation
  22. 3.3: Invention of the Schrödinger Equation
  23. 3.4: Operators, Eigenfunctions, Eigenvalues, and Eigenstates
  24. 3.5: Momentum Operators
  25. 3.6: The Time-Dependent Schrodinger Equation
  26. 3.7: Meaning of the Wavefunction
  27. 3.8: Expectation Values
  28. 3.9: Postulates of Quantum Mechanics
  29. 3.E: The Schrödinger Equation (Exercises)
  30. 4: Electronic Spectroscopy of Cyanine Dyes
  31. 4.1: Introduction
  32. 4.2: Cyanine Dyes
  33. 4.3: The Particle-in-a-Box Model
  34. 4.4: Spectroscopy of the Particle-in-a-Box Model
  35. 4.5: The Transition Dipole Moment and Spectroscopic Selection Rules
  36. 4.6: Selection Rules for the Particle-in-a-Box
  37. 4.7: Using Symmetry to Identify Integrals that are Zero
  38. 4.8: Other Properties of the Particle-in-a-Box
  39. 4.9: Properties of Quantum Mechanical Systems
  40. 4.E: Electronic Spectroscopy of Cyanine Dyes (Exercises)
  41. 4.S: Electronic Spectroscopy of Cyanine Dyes (Summary)
  42. 5: Translational States
  43. 5.1: The Free Particle
  44. 5.2: The Uncertainty Principle
  45. 5.3: Linear Combinations of Eigenfunctions
  46. 5.E: Translational States (Exercises)
  47. 5.S: Translational States (Summary)
  48. 6: Vibrational States
  49. 6.1: Spatial Degrees of Freedom, Normal Coordinates and Normal Modes
  50. 6.2: Classical Description of the Vibration of a Diatomic Molecule
  51. 6.3: Quantum-Mechanical Description of the Harmonic Oscillator
  52. 6.4: Harmonic Oscillator Properties
  53. 6.5: Quantum Mechanical Tunneling
  54. 6.6: Harmonic Oscillator Selection Rules
  55. 6.S: Vibrational States (Exercises)
  56. 6.S: Vibrational States (Summary)
  57. 7: Rotational States
  58. 7.1: Introduction to Rotation
  59. 7.2: The Hamiltonian Operator for Rotational Motion
  60. 7.3: Solving the Rigid Rotor Schrödinger Equation
  61. 7.4: Angular Momentum Operators and Eigenvalues
  62. 7.5: Quantum Mechanical Properties of Rotating Diatomic Molecules
  63. 7.6: Rotational Spectroscopy of Diatomic Molecules
  64. 7.7: Overview of the Rigid Rotor
  65. 7.E: Rotational States (Exercises)
  66. 8: The Hydrogen Atom
  67. 8.1: The Schrödinger Equation
  68. 8.2: The Wavefunctions
  69. 8.3: Orbital Energy Levels, Selection Rules, and Spectroscopy
  70. 8.4: Magnetic Properties and the Zeeman Effect
  71. 8.5: Discovering Electron Spin
  72. 8.6: Other One-Electron Systems
  73. 8.7: Spin-Orbitals and Electron Configurations
  74. 8.8: Coupling of Angular Momentum and Spectroscopic Term Symbols
  75. 8.E: The Hydrogen Atom (Exercises)
  76. 8.S: The Hydrogen Atom (Summary)
  77. 9: The Electronic States of the Multielectron Atoms
  78. 9.1: The Schrödinger Equation For Multi-Electron Atoms
  79. 9.2: Solution of the Schrödinger Equation for Atoms- The Independent Electron Approximation
  80. 9.3: Perturbation Theory
  81. 9.4: The Variational Method
  82. 9.5: Single-electron Wavefunctions and Basis Functions
  83. 9.6: Electron Configurations, The Pauli Exclusion Principle, The Aufbau Principle, and Slater Determinants
  84. 9.7: The Self-Consistent Field Approximation (Hartree-Fock Method)
  85. 9.8: Configuration Interaction
  86. 9.9: Chemical Applications of Atomic Structure Theory
  87. 9.9.9A: Total Electronic Energies
  88. 9.9.9B: Orbital Energies
  89. 9.9.9C: Atomic Sizes and Electron Density Distributions
  90. 9.9.9D: Ionization Potentials
  91. 9.9.9E: Electron Affinity
  92. 9.E: The Electronic States of the Multielectron Atoms (Exercises)
  93. 9.S: The Electronic States of the Multielectron Atoms (Summary)
  94. 10: Theories of Electronic Molecular Structure
  95. 10.1: The Born-Oppenheimer Approximation
  96. 10.2: The Orbital Approximation and Orbital Configurations
  97. 10.3: Basis Functions
  98. 10.4: The Case of H₂⁺
  99. 10.5: Homonuclear Diatomic Molecules
  100. 10.6: Semi-Empirical Methods- Extended Hückel
  101. 10.7: Mulliken Populations
  102. 10.8: The Self-Consistent Field and the Hartree-Fock Limit
  103. 10.9: Correlation Energy and Configuration Interaction
  104. 10.E: Theories of Electronic Molecular Structure (Exercises)
  105. 10.S: Theories of Electronic Molecular Structure (Summary)
  106. 10.10: Electronic States
  107. Back Matter
  108. Index
  109. Glossary
  110. Detailed Licensing