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Quantum Chemistry and Spectroscopy

Quantum Chemistry and Spectroscopy

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Quantum Chemistry 8.3 - Linear Variational Method

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Quantum Chemistry 8.3 - Linear Variational Method

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Quantum Chemistry and Spectroscopy

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  1. 1 Quantum Chemistry 0.1 - Introduction
  2. 2 Quantum Chemistry 1.1 - Blackbody Radiation
  3. 3 Quantum Chemistry 1.2 - Photoelectric Effect
  4. 4 Quantum Chemistry 1.3 - Rydberg Formula
  5. 5 Quantum Chemistry 1.4 - Bohr Hydrogen Model 1: Radius
  6. 6 Quantum Chemistry 1.5 - Bohr Hydrogen Model 2: Energy
  7. 7 Quantum Chemistry 1.6 - Wave-Particle Duality
  8. 8 Quantum Chemistry 1.7 - Uncertainty Principle in Measurement
  9. 9 Quantum Chemistry 2.1 - Classical Wave Equation
  10. 10 Quantum Chemistry 2.2 - Vibrating String
  11. 11 Quantum Chemistry 2.3 - Vibrating String Animation
  12. 12 Quantum Chemistry 3.1 - Schrodinger Equation "Derivation"
  13. 13 Quantum Chemistry 3.2 - Operators
  14. 14 Quantum Chemistry 3.3 - Eigenvalues and Eigenfunctions
  15. 15 Quantum Chemistry 3.4 - Interpreting the Wavefunction
  16. 16 Quantum Chemistry 3.5 - Particle in a Box
  17. 17 Quantum Chemistry 3.6 - Normalization
  18. 18 Quantum Chemistry 3.7 - Particle in a Box Wavefunction Plots
  19. 19 Quantum Chemistry 3.8 - UV-Vis Spectra of Polyenes
  20. 20 Quantum Chemistry 3.9 - Average Position
  21. 21 Quantum Chemistry 3.10 - Average Momentum
  22. 22 Quantum Chemistry 3.11 - 3-D Particle in a Box
  23. 23 Quantum Chemistry 3.12 - Degeneracy
  24. 24 Quantum Chemistry 4.1 - Postulates of Quantum Mechanics 1: Wavefunction
  25. 25 Quantum Chemistry 4.2 - Postulates of Quantum Mechanics 2: Operators
  26. 26 Quantum Chemistry 4.3 - Postulates of Quantum Mechanics 3: Measurement
  27. 27 Quantum Chemistry 4.4 - Postulates of Quantum Mechanics 4: Expectation Values
  28. 28 Quantum Chemistry 4.5 - Postulates of Quantum Mechanics 5: Schrodinger Equation
  29. 29 Quantum Chemistry 4.6 - Commutators
  30. 30 Quantum Chemistry 4.7 - Hermitian Operators
  31. 31 Quantum Chemistry 4.8 - Dirac Notation
  32. 32 Quantum Chemistry 4.9 - Orthogonality
  33. 33 Quantum Chemistry 4.10 - Superposition Principle 1: Basis Sets
  34. 34 Quantum Chemistry 4.11 - Superposition Principle 2: Expectation Values
  35. 35 Quantum Chemistry 4.12 - Superposition Principle 3: Example
  36. 36 Quantum Chemistry 4.13 - Commuting Operators
  37. 37 Quantum Chemistry 4.14 - Time Dependence
  38. 38 Quantum Chemistry 4.15 - Time Dependence Animation
  39. 39 Quantum Chemistry 4.16 - Wavefunction Collapse
  40. 40 Quantum Chemistry 4.17 - Schrodinger's Cat
  41. 41 Quantum Chemistry 4.18 - Correspondence Principle
  42. 42 Quantum Chemistry 5.1 - Harmonic Oscillator Model
  43. 43 Quantum Chemistry 5.2 - Classical Harmonic Oscillator 1: Trajectory
  44. 44 Quantum Chemistry 5.3 - Classical Harmonic Oscillator 2: Energy
  45. 45 Quantum Chemistry 5.4 - Reduced Mass
  46. 46 Quantum Chemistry 5.5 - Harmonic Oscillator Energy Levels
  47. 47 Quantum Chemistry 5.6 - Diatomic Infrared Spectra
  48. 48 Quantum Chemistry 5.7 - Anharmonicity and Overtones
  49. 49 Quantum Chemistry 5.8 - Harmonic Oscillator Wavefunctions
  50. 50 Quantum Chemistry 5.9 - Even and Odd Functions
  51. 51 Quantum Chemistry 5.10 - Harmonic Oscillator Even and Odd Functions
  52. 52 Quantum Chemistry 5.11 - 3-D Harmonic Oscillator
  53. 53 Quantum Chemistry 5.12 - Polyatomic Molecular Vibrations
  54. 54 Quantum Chemistry 6.1 - Rigid Rotor Model
  55. 55 Quantum Chemistry 6.2 - Rotation Operators
  56. 56 Quantum Chemistry 6.3 - Rigid Rotor Energy Levels
  57. 57 Quantum Chemistry 6.4 - Diatomic Microwave Spectra
  58. 58 Quantum Chemistry 6.5 - Rovibrational Energy Levels
  59. 59 Quantum Chemistry 6.6 - Diatomic Rovibrational Spectra
  60. 60 Quantum Chemistry 6.7 - Microwave Spectroscopy Example
  61. 61 Quantum Chemistry 6.8 - Rotation-Vibration Interaction
  62. 62 Quantum Chemistry 6.9 - Centrifugal Distortion
  63. 63 Quantum Chemistry 6.10 - Rigid Rotor Wavefunctions
  64. 64 Quantum Chemistry 6.11 - Orthonormality of Spherical Harmonics
  65. 65 Quantum Chemistry 6.12 - Angular Momentum Eigenvalues
  66. 66 Quantum Chemistry 7.1 - Hydrogen Atom Model
  67. 67 Quantum Chemistry 7.2 - Hydrogen Atom Energy Levels
  68. 68 Quantum Chemistry 7.3 - Hydrogen Atom Radial Wavefunctions
  69. 69 Quantum Chemistry 7.4 - Hydrogen Atom Total Wavefunctions
  70. 70 Quantum Chemistry 7.5 - Hydrogen Atomic Orbital Nodes
  71. 71 Quantum Chemistry 7.6 - Hydrogen Atom Eigenvalues
  72. 72 Quantum Chemistry 7.7 - Hydrogen Atom Radius
  73. 73 Quantum Chemistry 7.8 - Hydrogen Atom Radial Wavefunction Animation
  74. 74 Quantum Chemistry 7.9 - Virial Theorem
  75. 75 Quantum Chemistry 7.10 - Zeeman Effect
  76. 76 Quantum Chemistry 7.11 - Electron Spin
  77. 77 Quantum Chemistry 7.12 - Spin-Orbit Coupling
  78. 78 Quantum Chemistry 7.13 - Hydrogen Atom Term Symbols
  79. 79 Quantum Chemistry 7.14 - Hydrogen Atom Spectrum
  80. 80 Quantum Chemistry 7.15 - Helium Atom Hamiltonian
  81. 81 Quantum Chemistry 8.1 - Variational Principle
  82. 82 Quantum Chemistry 8.2 - Variational Principle Example
  83. 83 Quantum Chemistry 8.3 - Linear Variational Method
  84. 84 Quantum Chemistry 8.4 - Secular Determinant
  85. 85 Quantum Chemistry 8.5 - Linear Variational Example
  86. 86 Quantum Chemistry 8.6 - Perturbation Theory
  87. 87 Quantum Chemistry 8.7 - Perturbation Theory Derivation
  88. 88 Quantum Chemistry 8.8 - Perturbation Theory Example
  89. 89 Quantum Chemistry 9.1 - Atomic Units
  90. 90 Quantum Chemistry 9.2 - Helium Atom Energy Approximations
  91. 91 Quantum Chemistry 9.3 - Hartree-Fock Helium Atom
  92. 92 Quantum Chemistry 9.4 - Hartree-Fock Helium Energy
  93. 93 Quantum Chemistry 9.5 - Antisymmetry Principle
  94. 94 Quantum Chemistry 9.6 - Slater Determinants
  95. 95 Quantum Chemistry 9.7 - Hartree-Fock Atomic Energy
  96. 96 Quantum Chemistry 9.8 - Hartree-Fock Operators
  97. 97 Quantum Chemistry 9.9 - Hartree-Fock-Roothaan Equations
  98. 98 Quantum Chemistry 9.10 - Hartree-Fock Spin
  99. 99 Quantum Chemistry 9.11 - Post Hartree-Fock Methods
  100. 100 Quantum Chemistry 9.12 - Atomic Electron Configurations
  101. 101 Quantum Chemistry 9.13 - Electron Configuration Exceptions
  102. 102 Quantum Chemistry 9.14 - Atomic Term Symbols
  103. 103 Quantum Chemistry 9.15 - Term Symbols Example 1
  104. 104 Quantum Chemistry 9.16 - Term Symbols Example 2
  105. 105 Quantum Chemistry 9.17 - Term Symbols Example 3
  106. 106 Quantum Chemistry 9.18 - Hund's Rules
  107. 107 Quantum Chemistry 9.19 - Atomic Spectra
  108. 108 Quantum Chemistry 10.1 - Hydrogen Molecule Hamiltonian
  109. 109 Quantum Chemistry 10.2 - Born-Oppenheimer Approximation
  110. 110 Quantum Chemistry 10.3 - Hydrogen Molecule-Ion 1: Energy
  111. 111 Quantum Chemistry 10.4 - Hydrogen Molecule-Ion 2: Orbitals
  112. 112 Quantum Chemistry 10.5 - Molecular Orbital Angular Momentum
  113. 113 Quantum Chemistry 10.6 - Molecular Orbital Inversion Symmetry
  114. 114 Quantum Chemistry 10.7 - Hydrogen Molecular Orbital Diagram
  115. 115 Quantum Chemistry 10.8 - LCAO-MO Theory
  116. 116 Quantum Chemistry 10.9 - Diatomic Molecular Orbital Diagrams
  117. 117 Quantum Chemistry 10.10 - Bond Order
  118. 118 Quantum Chemistry 10.11 - Diatomic Term Symbols
  119. 119 Quantum Chemistry 10.12 - Total Wavefunction Symmetry
  120. 120 Quantum Chemistry 11.1 - sp Hybridization
  121. 121 Quantum Chemistry 11.2 - sp2 Hybridization
  122. 122 Quantum Chemistry 11.3 - sp3 Hybridization
  123. 123 Quantum Chemistry 11.4 - Lone Pair Hybridization
  124. 124 Quantum Chemistry 11.5 - Walsh Diagrams
  125. 125 Quantum Chemistry 11.6 - Huckel Theory
  126. 126 Quantum Chemistry 11.7 - Pi Resonance
  127. 127 Quantum Chemistry 11.8 - Aromaticity
  128. 128 Quantum Chemistry 12.1 - Symmetry Websites
  129. 129 Quantum Chemistry 12.2 - Symmetry Operations
  130. 130 Quantum Chemistry 12.3 - Symmetry Elements
  131. 131 Quantum Chemistry 12.4 - Groups
  132. 132 Quantum Chemistry 12.5 - Point Groups
  133. 133 Quantum Chemistry 12.6 - Point Group Examples
  134. 134 Quantum Chemistry 12.7 - Determining Point Groups
  135. 135 Quantum Chemistry 12.8 - Group Multiplication Tables
  136. 136 Quantum Chemistry 12.9 - Symmetry Operator Matrices
  137. 137 Quantum Chemistry 12.10 - Irreducible Representations
  138. 138 Quantum Chemistry 12.11 - Character Tables 1: Abelian
  139. 139 Quantum Chemistry 12.12 - Character Tables 2: Non-Abelian
  140. 140 Quantum Chemistry 12.13 - Determining Irreps
  141. 141 Quantum Chemistry 12.14 - Generating Operators
  142. 142 Quantum Chemistry 12.15 - Irrep Direct Products
  143. 143 Quantum Chemistry 12.16 - Symmetry IR / Raman Activity
  144. 144 Quantum Chemistry 13.1 - Nuclear Spin
  145. 145 Quantum Chemistry 13.2 - Nuclear Magnetic Dipole
  146. 146 Quantum Chemistry 13.3 - Nuclear Magnetic Resonance
  147. 147 Quantum Chemistry 13.4 - NMR Spectrometer
  148. 148 Quantum Chemistry 13.5 - Magnetic Shielding
  149. 149 Quantum Chemistry 13.6 - Chemical Shift
  150. 150 Quantum Chemistry 13.7 - Spin-Spin Coupling
  151. 151 Quantum Chemistry 13.8 - First Order Spectra
  152. 152 Quantum Chemistry 13.9 - Chemical Equivalence
  153. 153 Quantum Chemistry 13.10 - N+1 Rule
  154. 154 Quantum Chemistry 13.11 - Second Order Spectra
  155. 155 Quantum Chemistry 14.1 - Particle in a Ring Model
  156. 156 Quantum Chemistry 14.2 - Particle in a Ring Energies
  157. 157 Quantum Chemistry 14.3 - Particle in a Ring Wavefunctions
  158. 158 Quantum Chemistry 14.4 - Huckel's Rule
  159. 159 Quantum Chemistry 14.5 - Aromatic UV-Vis Spectra
  160. 160 Quantum Chemistry 14.6 - Particle in a Ring Eigenvalues

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