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[
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{
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"page_content": "- 1-1. Blackbody Radiation Could Not Be Explained by Classical Physics 2\n- 1-2. Planck Used a Quantum Hypothesis to Derive the Blackbody Radiation Law 4\n- 1-3. Einstein Explained the Photoelectric Effect with a Quantum Hypothesis 7\n- 1-4. The Hydrogen Atomic Spectrum Consists of Several Series of Lines 10\n- 1-5. The Rydberg Formula Accounts for All the Lines in the Hydrogen Atomic Spectrum 13\n- 1-6. Louis de Broglie Postulated That Matter Has Wavelike Properties 15\n- 1-7. de Broglie Waves Are Observed Experimentally 16\n- 1-8. The Bohr Theory of the Hydrogen Atom Can Be Used to Derive the Rydberg Formula 18\n- 1-9. The Heisenberg Uncertainty Principle States That the Position and the Momentum of a Particle Cannot Be Specified Simultaneously with Unlimited Precision 23 \nProblems 25\n\nProblems 35",
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"metadata": {
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"Header 1": "**CHAPTER 1** I The Dawn of the Quantum Theory",
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"Header 2": "Blackbody Radiation Could Not Be Explained by Classical Physics",
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"is_merged_section": true,
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
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}
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},
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{
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"page_content": "- 2-1. The One-Dimensional Wave Equation Describes the Motion of a Vibrating String 39\n- 2-2. The Wave Equation Can Be Solved by the Method of Separation of Variables 40\n- 2-3. Some Differential Equations Have Oscillatory Solutions 44\n- 2-4. The General Solution to the Wave Equation Is a Superposition of Normal Modes 46\n- 2-5. A Vibrating Membrane Is Described by a Two-Dimensional Wave Equation 49 \nProblems 54\n\nProblems 70",
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"metadata": {
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"Header 1": "**CHAPTER 1** I The Dawn of the Quantum Theory",
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"Header 2": "Planck Used a Quantum Hypothesis to Derive the Blackbody Radiation Law",
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"is_merged_section": true,
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
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}
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},
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{
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"page_content": "- **3-1.** The Schrödinger Equation Is the Equation for Finding the Wave Function of a Particle 73\n- **3-2.** Classical-Mechanical Quantities Are Represented by Linear Operators in Ouantum Mechanics 75\n- 3-3. The Schrödinger Equation Can Be Formulated As an Eigenvalue Problem 77\n- **3-4.** Wave Function's Have a Probabilistic Interpretation 80\n- **3-5.** The Energy of a Particle in a Box Is Quantized 81\n- 3-6. Wave Functions Must Be Normalized 84\n- 3-7. The Average Momentum of a Particle in a Box Is Zero 86\n- **3-8.** The Uncertainty Principle Says That $\\sigma_n \\sigma_r > \\hbar/2$ 88\n- **3-9.** The Problem of a Particle in a Three-Dimensional Box Is a Simple Extension of the One-Dimensional Case 90 \nProblems 96 \n#### MATHCHAPTER C / Vectors 105 \nProblems 113\n\n- 4-1. The State of a System Is Completely Specified by Its Wave Function 115\n- 4-2. Quantum-Mechanical Operators Represent Classical-Mechanical Variables 118\n- **4-3.** Observable Quantities Must Be Eigenvalues of Quantum Mechanical Operators 122\n- **4-4.** The Time Dependence of Wave Functions Is Governed by the Time-Dependent Schrödinger Equation 125\n- **4-5.** The Eigenfunctions of Quantum Mechanical Operators Are Orthogonal 127\n- **4-6.** The Physical Quantities Corresponding to Operators That Commute Can Be Measured Simultaneously to Any Precision 131 \nProblems 134 \n",
|
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"metadata": {
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| 23 |
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"Header 1": "**CHAPTER 1** I The Dawn of the Quantum Theory",
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| 24 |
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"Header 2": "Einstein Explained the Photoelectric Effect",
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"is_merged_section": true,
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
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}
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},
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{
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"page_content": "- 1-1. Blackbody Radiation Could Not Be Explained by Classical Physics 2\n- 1-2. Planck Used a Quantum Hypothesis to Derive the Blackbody Radiation Law 4\n- 1-3. Einstein Explained the Photoelectric Effect with a Quantum Hypothesis 7\n- 1-4. The Hydrogen Atomic Spectrum Consists of Several Series of Lines 10\n- 1-5. The Rydberg Formula Accounts for All the Lines in the Hydrogen Atomic Spectrum 13\n- 1-6. Louis de Broglie Postulated That Matter Has Wavelike Properties 15\n- 1-7. de Broglie Waves Are Observed Experimentally 16\n- 1-8. The Bohr Theory of the Hydrogen Atom Can Be Used to Derive the Rydberg Formula 18\n- 1-9. The Heisenberg Uncertainty Principle States That the Position and the Momentum of a Particle Cannot Be Specified Simultaneously with Unlimited Precision 23 \nProblems 25\n\nProblems 35\n\n- 2-1. The One-Dimensional Wave Equation Describes the Motion of a Vibrating String 39\n- 2-2. The Wave Equation Can Be Solved by the Method of Separation of Variables 40\n- 2-3. Some Differential Equations Have Oscillatory Solutions 44\n- 2-4. The General Solution to the Wave Equation Is a Superposition of Normal Modes 46\n- 2-5. A Vibrating Membrane Is Described by a Two-Dimensional Wave Equation 49 \nProblems 54\n\nProblems 70\n\n- **3-1.** The Schrödinger Equation Is the Equation for Finding the Wave Function of a Particle 73\n- **3-2.** Classical-Mechanical Quantities Are Represented by Linear Operators in Ouantum Mechanics 75\n- 3-3. The Schrödinger Equation Can Be Formulated As an Eigenvalue Problem 77\n- **3-4.** Wave Function's Have a Probabilistic Interpretation 80\n- **3-5.** The Energy of a Particle in a Box Is Quantized 81\n- 3-6. Wave Functions Must Be Normalized 84\n- 3-7. The Average Momentum of a Particle in a Box Is Zero 86\n- **3-8.** The Uncertainty Principle Says That $\\sigma_n \\sigma_r > \\hbar/2$ 88\n- **3-9.** The Problem of a Particle in a Three-Dimensional Box Is a Simple Extension of the One-Dimensional Case 90 \nProblems 96 \n#### MATHCHAPTER C / Vectors 105 \nProblems 113\n\n- 4-1. The State of a System Is Completely Specified by Its Wave Function 115\n- 4-2. Quantum-Mechanical Operators Represent Classical-Mechanical Variables 118\n- **4-3.** Observable Quantities Must Be Eigenvalues of Quantum Mechanical Operators 122\n- **4-4.** The Time Dependence of Wave Functions Is Governed by the Time-Dependent Schrödinger Equation 125\n- **4-5.** The Eigenfunctions of Quantum Mechanical Operators Are Orthogonal 127\n- **4-6.** The Physical Quantities Corresponding to Operators That Commute Can Be Measured Simultaneously to Any Precision 131 \nProblems 134 \n\n\nProblems 153\n\n- **5-1.** A Harmonic Oscillator Obeys Hooke's Law 157\n- **5-2.** The Equation for a Harmonic-Oscillator Model of a Diatomic Molecule Contains the Reduced Mass of the Molecule 161\n- **5-3.** The Harmonic-Oscillator Approximation Results from the Expansion of an Internuclear Potential Around Its Minimum 163\n- \\* 5-4. The Energy Levels of a Quantum-Mechanical Harmonic Oscillator Are $E_v = \\hbar\\omega(v+\\frac{1}{2})$ with $v=0,\\ 1,\\ 2,\\ \\dots$ 166\n- 5-5. The Harmonic Oscillator Accounts for the Infrared Spectrum of a Diatomic Molecule 167\n- 5-6. The Harmonic-Oscillator Wave Functions Involve Hermite Polynomials 169\n- **5-7.** Hermite Polynomials Are Either Even or Odd Functions 172\n- **5-8** The Energy Levels of a Rigid Rotator Are $E = \\hbar^2 J(J+1)/2I$ 173 \n/~The Rigid Rotator Is a Model for a Rotating Diatomic Molecule 177 Problems 1 79\n\n- 6-1. The Schrodinger Equation for the Hydrogen Atom Can Be Solved Exactly 191\n- 6-2. The Wave Functions of a Rigid Rotator Are Called Spherical Harmonics 193\n- 6-3. The Precise Values of the Three Components of Angular Momentum Cannot Be Measured Simultaneously 200\n- 6-4. Hydrogen Atomic Orbitals Depend upon Three Quantum Numbers 206\n- 6-5. *s* Orbitals Are Spherically Symmetric 209\n- 6-6. There Are Three *p*Orbitals for Each Value of the Principal Quantum Number, *<sup>n</sup>*~ 2 213\n- 6-7. The Schrodinger Equation for the Helium Atom Cannot Be Solved Exactly 219 Problems 220 \n#### MATHCHAPTER E I Determinants 231 \nProblems 238\n\n- <sup>~</sup>7-1. The Variational Method Provides an Upper Bound to the Ground-State Energy of a System 241\n- 7-2. A Trial Function That Depends Linearly on the Variational Parameters Leads to a Secular Determinant 249\n- 7-3. Trial Functions Can Be Linear Combinations of Functions That Also Contain Variational Parameters 256\n- <sup>~</sup>7-4. Perturbation Theory Expresses the Solution to One Problem in Terms of Another Problem Solved Previously 257 \nProblems 2 61 \n#### CHAPTER 8 I Multielectron Atoms 275 \n- 8-1. Atomic and Molecular Calculations Are Expressed in Atomic Units 275\n- 8-2. Both Perturbation Theory and the Variational Method Can Yield Excellent Results for Helium 278\n- 8-3. Hartree-Fock Equations Are Solved by the Self-Consistent Field Method 282\n- 8-4. An Electron Has an Intrinsic Spin Angular Momentum 284\n- 8-5. Wave Functions Must Be Antisymmetric in the Interchange of Any Two Electrons 285\n- 8-6. Antisymmetric Wave Functions Can Be Represented by Slater Determinants 288\n- 8-7. Hartree-Fock Calculations Give Good Agreement with Experimental Data 290\n- 8-8. A Term Symbol Gives a Detailed Description of an Electron Configuration 292\n- @jrhe Allowed Values of J are *L* + *S, L* + *S-* 1, 0 0 0, IL- Sl 296\n- 8-10. Hund's Rules Are Used to Determine the Term Symbol of the Ground Electronic State 301\n- -! 8-11. Atomic Term Symbols Are Used to Describe Atomic Spectra 302 Problems 308 \n- **@-1.** The Born-Oppenheimer Approximation Simplifies the Schrodinger Equation for Molecules 323\n- **9-2.** Hi Is the Prototypical Species of Molecular-Orbital Theory 325\n- 9-3. The Overlap Integral Is a Quantitative Measure of the Overlap of Atomic Orbitals Situated on Different Atoms 327\n- **9-4.** The Stability of a Chemical Bond Is a Quantum-Mechanical Effect 329\n- 9-5. The Simplest Molecular Orbital Treatment of Hi Yields a Bonding Orbital and an Antibonding Orbital 333\n- **9-6.** A Simple Molecular-Orbital Treatment of H2 Places Both Electrons in a Bonding Orbital 336\n- 9-7. Molecular Orbitals Can Be Ordered According to Their Energies 336\n- **9-8.** Molecular-Orbital Theory Predicts That a Stable Diatomic Helium Molecule Does Not Exist 341\n- **9-9.** Electrons Are Placed into Molecular Orbitals in Accord with the Pauli Exclusion Principle 342\n- **9-10.** Molecular-Orbital Theory Correctly Predicts That Oxygen Molecules Are Paramagnetic 344\n- **9-11.** Photoelectron Spectra Support the Existence of Molecular Orbitals 346\n- **9-12.** Molecular-Orbital Theory Also Applies to Heteronuclear Diatomic Molecules 346\n- **9-13.** An SCF-LCAO-MO Wave Function Is a Molecular Orbital Formed from a Linear Combination of Atomic Orbitals and Whose Coefficients Are Determined Self-Consistently 349\n- **9-14.** Electronic States of Molecules Are Designated by Molecular Term Symbols 355\n- **9-15.** Molecular Term Symbols Designate the Symmetry Properties of Molecular Wave Functions 358\n- **9-16.** Most Molecules Have Excited Electronic States 360",
|
| 31 |
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"metadata": {
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| 32 |
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"Header 1": "**MATHCHAPTER A** I Complex Numbers 31",
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"Header 2": "Introduction to Complex Numbers",
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"is_merged_section": true,
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
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}
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},
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{
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| 39 |
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"page_content": "- 2-1. The One-Dimensional Wave Equation Describes the Motion of a Vibrating String 39\n- 2-2. The Wave Equation Can Be Solved by the Method of Separation of Variables 40\n- 2-3. Some Differential Equations Have Oscillatory Solutions 44\n- 2-4. The General Solution to the Wave Equation Is a Superposition of Normal Modes 46\n- 2-5. A Vibrating Membrane Is Described by a Two-Dimensional Wave Equation 49 \nProblems 54",
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| 40 |
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"metadata": {
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| 41 |
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"Header 2": "**MATHCHAPTER A** I Complex Numbers 31",
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"Header 3": "**CHAPTER** 2 I The Classical Wave Equation 39",
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
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}
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},
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{
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"page_content": "- 1-1. Blackbody Radiation Could Not Be Explained by Classical Physics 2\n- 1-2. Planck Used a Quantum Hypothesis to Derive the Blackbody Radiation Law 4\n- 1-3. Einstein Explained the Photoelectric Effect with a Quantum Hypothesis 7\n- 1-4. The Hydrogen Atomic Spectrum Consists of Several Series of Lines 10\n- 1-5. The Rydberg Formula Accounts for All the Lines in the Hydrogen Atomic Spectrum 13\n- 1-6. Louis de Broglie Postulated That Matter Has Wavelike Properties 15\n- 1-7. de Broglie Waves Are Observed Experimentally 16\n- 1-8. The Bohr Theory of the Hydrogen Atom Can Be Used to Derive the Rydberg Formula 18\n- 1-9. The Heisenberg Uncertainty Principle States That the Position and the Momentum of a Particle Cannot Be Specified Simultaneously with Unlimited Precision 23 \nProblems 25\n\nProblems 35\n\n- 2-1. The One-Dimensional Wave Equation Describes the Motion of a Vibrating String 39\n- 2-2. The Wave Equation Can Be Solved by the Method of Separation of Variables 40\n- 2-3. Some Differential Equations Have Oscillatory Solutions 44\n- 2-4. The General Solution to the Wave Equation Is a Superposition of Normal Modes 46\n- 2-5. A Vibrating Membrane Is Described by a Two-Dimensional Wave Equation 49 \nProblems 54\n\nProblems 70\n\n- **3-1.** The Schrödinger Equation Is the Equation for Finding the Wave Function of a Particle 73\n- **3-2.** Classical-Mechanical Quantities Are Represented by Linear Operators in Ouantum Mechanics 75\n- 3-3. The Schrödinger Equation Can Be Formulated As an Eigenvalue Problem 77\n- **3-4.** Wave Function's Have a Probabilistic Interpretation 80\n- **3-5.** The Energy of a Particle in a Box Is Quantized 81\n- 3-6. Wave Functions Must Be Normalized 84\n- 3-7. The Average Momentum of a Particle in a Box Is Zero 86\n- **3-8.** The Uncertainty Principle Says That $\\sigma_n \\sigma_r > \\hbar/2$ 88\n- **3-9.** The Problem of a Particle in a Three-Dimensional Box Is a Simple Extension of the One-Dimensional Case 90 \nProblems 96 \n#### MATHCHAPTER C / Vectors 105 \nProblems 113\n\n- 4-1. The State of a System Is Completely Specified by Its Wave Function 115\n- 4-2. Quantum-Mechanical Operators Represent Classical-Mechanical Variables 118\n- **4-3.** Observable Quantities Must Be Eigenvalues of Quantum Mechanical Operators 122\n- **4-4.** The Time Dependence of Wave Functions Is Governed by the Time-Dependent Schrödinger Equation 125\n- **4-5.** The Eigenfunctions of Quantum Mechanical Operators Are Orthogonal 127\n- **4-6.** The Physical Quantities Corresponding to Operators That Commute Can Be Measured Simultaneously to Any Precision 131 \nProblems 134 \n\n\nProblems 153\n\n- **5-1.** A Harmonic Oscillator Obeys Hooke's Law 157\n- **5-2.** The Equation for a Harmonic-Oscillator Model of a Diatomic Molecule Contains the Reduced Mass of the Molecule 161\n- **5-3.** The Harmonic-Oscillator Approximation Results from the Expansion of an Internuclear Potential Around Its Minimum 163\n- \\* 5-4. The Energy Levels of a Quantum-Mechanical Harmonic Oscillator Are $E_v = \\hbar\\omega(v+\\frac{1}{2})$ with $v=0,\\ 1,\\ 2,\\ \\dots$ 166\n- 5-5. The Harmonic Oscillator Accounts for the Infrared Spectrum of a Diatomic Molecule 167\n- 5-6. The Harmonic-Oscillator Wave Functions Involve Hermite Polynomials 169\n- **5-7.** Hermite Polynomials Are Either Even or Odd Functions 172\n- **5-8** The Energy Levels of a Rigid Rotator Are $E = \\hbar^2 J(J+1)/2I$ 173 \n/~The Rigid Rotator Is a Model for a Rotating Diatomic Molecule 177 Problems 1 79\n\n- 6-1. The Schrodinger Equation for the Hydrogen Atom Can Be Solved Exactly 191\n- 6-2. The Wave Functions of a Rigid Rotator Are Called Spherical Harmonics 193\n- 6-3. The Precise Values of the Three Components of Angular Momentum Cannot Be Measured Simultaneously 200\n- 6-4. Hydrogen Atomic Orbitals Depend upon Three Quantum Numbers 206\n- 6-5. *s* Orbitals Are Spherically Symmetric 209\n- 6-6. There Are Three *p*Orbitals for Each Value of the Principal Quantum Number, *<sup>n</sup>*~ 2 213\n- 6-7. The Schrodinger Equation for the Helium Atom Cannot Be Solved Exactly 219 Problems 220 \n#### MATHCHAPTER E I Determinants 231 \nProblems 238\n\n- <sup>~</sup>7-1. The Variational Method Provides an Upper Bound to the Ground-State Energy of a System 241\n- 7-2. A Trial Function That Depends Linearly on the Variational Parameters Leads to a Secular Determinant 249\n- 7-3. Trial Functions Can Be Linear Combinations of Functions That Also Contain Variational Parameters 256\n- <sup>~</sup>7-4. Perturbation Theory Expresses the Solution to One Problem in Terms of Another Problem Solved Previously 257 \nProblems 2 61 \n#### CHAPTER 8 I Multielectron Atoms 275 \n- 8-1. Atomic and Molecular Calculations Are Expressed in Atomic Units 275\n- 8-2. Both Perturbation Theory and the Variational Method Can Yield Excellent Results for Helium 278\n- 8-3. Hartree-Fock Equations Are Solved by the Self-Consistent Field Method 282\n- 8-4. An Electron Has an Intrinsic Spin Angular Momentum 284\n- 8-5. Wave Functions Must Be Antisymmetric in the Interchange of Any Two Electrons 285\n- 8-6. Antisymmetric Wave Functions Can Be Represented by Slater Determinants 288\n- 8-7. Hartree-Fock Calculations Give Good Agreement with Experimental Data 290\n- 8-8. A Term Symbol Gives a Detailed Description of an Electron Configuration 292\n- @jrhe Allowed Values of J are *L* + *S, L* + *S-* 1, 0 0 0, IL- Sl 296\n- 8-10. Hund's Rules Are Used to Determine the Term Symbol of the Ground Electronic State 301\n- -! 8-11. Atomic Term Symbols Are Used to Describe Atomic Spectra 302 Problems 308 \n- **@-1.** The Born-Oppenheimer Approximation Simplifies the Schrodinger Equation for Molecules 323\n- **9-2.** Hi Is the Prototypical Species of Molecular-Orbital Theory 325\n- 9-3. The Overlap Integral Is a Quantitative Measure of the Overlap of Atomic Orbitals Situated on Different Atoms 327\n- **9-4.** The Stability of a Chemical Bond Is a Quantum-Mechanical Effect 329\n- 9-5. The Simplest Molecular Orbital Treatment of Hi Yields a Bonding Orbital and an Antibonding Orbital 333\n- **9-6.** A Simple Molecular-Orbital Treatment of H2 Places Both Electrons in a Bonding Orbital 336\n- 9-7. Molecular Orbitals Can Be Ordered According to Their Energies 336\n- **9-8.** Molecular-Orbital Theory Predicts That a Stable Diatomic Helium Molecule Does Not Exist 341\n- **9-9.** Electrons Are Placed into Molecular Orbitals in Accord with the Pauli Exclusion Principle 342\n- **9-10.** Molecular-Orbital Theory Correctly Predicts That Oxygen Molecules Are Paramagnetic 344\n- **9-11.** Photoelectron Spectra Support the Existence of Molecular Orbitals 346\n- **9-12.** Molecular-Orbital Theory Also Applies to Heteronuclear Diatomic Molecules 346\n- **9-13.** An SCF-LCAO-MO Wave Function Is a Molecular Orbital Formed from a Linear Combination of Atomic Orbitals and Whose Coefficients Are Determined Self-Consistently 349\n- **9-14.** Electronic States of Molecules Are Designated by Molecular Term Symbols 355\n- **9-15.** Molecular Term Symbols Designate the Symmetry Properties of Molecular Wave Functions 358\n- **9-16.** Most Molecules Have Excited Electronic States 360",
|
| 48 |
+
"metadata": {
|
| 49 |
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"Header 1": "**CHAPTER 1** I The Dawn of the Quantum Theory",
|
| 50 |
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"Header 2": "Introduction to Complex Numbers",
|
| 51 |
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"is_merged_section": true,
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| 52 |
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
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| 53 |
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}
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},
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| 55 |
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| 56 |
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"page_content": "- 1-1. Blackbody Radiation Could Not Be Explained by Classical Physics 2\n- 1-2. Planck Used a Quantum Hypothesis to Derive the Blackbody Radiation Law 4\n- 1-3. Einstein Explained the Photoelectric Effect with a Quantum Hypothesis 7\n- 1-4. The Hydrogen Atomic Spectrum Consists of Several Series of Lines 10\n- 1-5. The Rydberg Formula Accounts for All the Lines in the Hydrogen Atomic Spectrum 13\n- 1-6. Louis de Broglie Postulated That Matter Has Wavelike Properties 15\n- 1-7. de Broglie Waves Are Observed Experimentally 16\n- 1-8. The Bohr Theory of the Hydrogen Atom Can Be Used to Derive the Rydberg Formula 18\n- 1-9. The Heisenberg Uncertainty Principle States That the Position and the Momentum of a Particle Cannot Be Specified Simultaneously with Unlimited Precision 23 \nProblems 25\n\nProblems 35",
|
| 57 |
+
"metadata": {
|
| 58 |
+
"Header 1": "Chapter 8",
|
| 59 |
+
"Header 2": "Introduction to Probability",
|
| 60 |
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"is_merged_section": true,
|
| 61 |
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
|
| 62 |
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}
|
| 63 |
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},
|
| 64 |
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{
|
| 65 |
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"page_content": "- 2-1. The One-Dimensional Wave Equation Describes the Motion of a Vibrating String 39\n- 2-2. The Wave Equation Can Be Solved by the Method of Separation of Variables 40\n- 2-3. Some Differential Equations Have Oscillatory Solutions 44\n- 2-4. The General Solution to the Wave Equation Is a Superposition of Normal Modes 46\n- 2-5. A Vibrating Membrane Is Described by a Two-Dimensional Wave Equation 49 \nProblems 54\n\nProblems 70",
|
| 66 |
+
"metadata": {
|
| 67 |
+
"Header 1": "Chapter 8",
|
| 68 |
+
"Header 2": "Basic Concepts of Statistics",
|
| 69 |
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"is_merged_section": true,
|
| 70 |
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
|
| 71 |
+
}
|
| 72 |
+
},
|
| 73 |
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{
|
| 74 |
+
"page_content": "- **3-1.** The Schrödinger Equation Is the Equation for Finding the Wave Function of a Particle 73\n- **3-2.** Classical-Mechanical Quantities Are Represented by Linear Operators in Ouantum Mechanics 75\n- 3-3. The Schrödinger Equation Can Be Formulated As an Eigenvalue Problem 77\n- **3-4.** Wave Function's Have a Probabilistic Interpretation 80\n- **3-5.** The Energy of a Particle in a Box Is Quantized 81\n- 3-6. Wave Functions Must Be Normalized 84\n- 3-7. The Average Momentum of a Particle in a Box Is Zero 86\n- **3-8.** The Uncertainty Principle Says That $\\sigma_n \\sigma_r > \\hbar/2$ 88\n- **3-9.** The Problem of a Particle in a Three-Dimensional Box Is a Simple Extension of the One-Dimensional Case 90 \nProblems 96 \n#### MATHCHAPTER C / Vectors 105 \nProblems 113\n\n- 4-1. The State of a System Is Completely Specified by Its Wave Function 115\n- 4-2. Quantum-Mechanical Operators Represent Classical-Mechanical Variables 118\n- **4-3.** Observable Quantities Must Be Eigenvalues of Quantum Mechanical Operators 122\n- **4-4.** The Time Dependence of Wave Functions Is Governed by the Time-Dependent Schrödinger Equation 125\n- **4-5.** The Eigenfunctions of Quantum Mechanical Operators Are Orthogonal 127\n- **4-6.** The Physical Quantities Corresponding to Operators That Commute Can Be Measured Simultaneously to Any Precision 131 \nProblems 134 \n",
|
| 75 |
+
"metadata": {
|
| 76 |
+
"Header 1": "Chapter 8",
|
| 77 |
+
"Header 2": "Descriptive Statistics",
|
| 78 |
+
"is_merged_section": true,
|
| 79 |
+
"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
|
| 80 |
+
}
|
| 81 |
+
},
|
| 82 |
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{
|
| 83 |
+
"page_content": "Problems 153\n\n- **5-1.** A Harmonic Oscillator Obeys Hooke's Law 157\n- **5-2.** The Equation for a Harmonic-Oscillator Model of a Diatomic Molecule Contains the Reduced Mass of the Molecule 161\n- **5-3.** The Harmonic-Oscillator Approximation Results from the Expansion of an Internuclear Potential Around Its Minimum 163\n- \\* 5-4. The Energy Levels of a Quantum-Mechanical Harmonic Oscillator Are $E_v = \\hbar\\omega(v+\\frac{1}{2})$ with $v=0,\\ 1,\\ 2,\\ \\dots$ 166\n- 5-5. The Harmonic Oscillator Accounts for the Infrared Spectrum of a Diatomic Molecule 167\n- 5-6. The Harmonic-Oscillator Wave Functions Involve Hermite Polynomials 169\n- **5-7.** Hermite Polynomials Are Either Even or Odd Functions 172\n- **5-8** The Energy Levels of a Rigid Rotator Are $E = \\hbar^2 J(J+1)/2I$ 173 \n/~The Rigid Rotator Is a Model for a Rotating Diatomic Molecule 177 Problems 1 79",
|
| 84 |
+
"metadata": {
|
| 85 |
+
"Header 1": "Chapter 8",
|
| 86 |
+
"Header 2": "Probability Distributions",
|
| 87 |
+
"is_merged_section": true,
|
| 88 |
+
"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
|
| 89 |
+
}
|
| 90 |
+
},
|
| 91 |
+
{
|
| 92 |
+
"page_content": "- 6-1. The Schrodinger Equation for the Hydrogen Atom Can Be Solved Exactly 191\n- 6-2. The Wave Functions of a Rigid Rotator Are Called Spherical Harmonics 193\n- 6-3. The Precise Values of the Three Components of Angular Momentum Cannot Be Measured Simultaneously 200\n- 6-4. Hydrogen Atomic Orbitals Depend upon Three Quantum Numbers 206\n- 6-5. *s* Orbitals Are Spherically Symmetric 209\n- 6-6. There Are Three *p*Orbitals for Each Value of the Principal Quantum Number, *<sup>n</sup>*~ 2 213\n- 6-7. The Schrodinger Equation for the Helium Atom Cannot Be Solved Exactly 219 Problems 220 \n#### MATHCHAPTER E I Determinants 231 \nProblems 238\n\n- <sup>~</sup>7-1. The Variational Method Provides an Upper Bound to the Ground-State Energy of a System 241\n- 7-2. A Trial Function That Depends Linearly on the Variational Parameters Leads to a Secular Determinant 249\n- 7-3. Trial Functions Can Be Linear Combinations of Functions That Also Contain Variational Parameters 256\n- <sup>~</sup>7-4. Perturbation Theory Expresses the Solution to One Problem in Terms of Another Problem Solved Previously 257 \nProblems 2 61 \n#### CHAPTER 8 I Multielectron Atoms 275 \n- 8-1. Atomic and Molecular Calculations Are Expressed in Atomic Units 275\n- 8-2. Both Perturbation Theory and the Variational Method Can Yield Excellent Results for Helium 278\n- 8-3. Hartree-Fock Equations Are Solved by the Self-Consistent Field Method 282\n- 8-4. An Electron Has an Intrinsic Spin Angular Momentum 284\n- 8-5. Wave Functions Must Be Antisymmetric in the Interchange of Any Two Electrons 285\n- 8-6. Antisymmetric Wave Functions Can Be Represented by Slater Determinants 288\n- 8-7. Hartree-Fock Calculations Give Good Agreement with Experimental Data 290\n- 8-8. A Term Symbol Gives a Detailed Description of an Electron Configuration 292\n- @jrhe Allowed Values of J are *L* + *S, L* + *S-* 1, 0 0 0, IL- Sl 296\n- 8-10. Hund's Rules Are Used to Determine the Term Symbol of the Ground Electronic State 301\n- -! 8-11. Atomic Term Symbols Are Used to Describe Atomic Spectra 302 Problems 308 \n- **@-1.** The Born-Oppenheimer Approximation Simplifies the Schrodinger Equation for Molecules 323\n- **9-2.** Hi Is the Prototypical Species of Molecular-Orbital Theory 325\n- 9-3. The Overlap Integral Is a Quantitative Measure of the Overlap of Atomic Orbitals Situated on Different Atoms 327\n- **9-4.** The Stability of a Chemical Bond Is a Quantum-Mechanical Effect 329\n- 9-5. The Simplest Molecular Orbital Treatment of Hi Yields a Bonding Orbital and an Antibonding Orbital 333\n- **9-6.** A Simple Molecular-Orbital Treatment of H2 Places Both Electrons in a Bonding Orbital 336\n- 9-7. Molecular Orbitals Can Be Ordered According to Their Energies 336\n- **9-8.** Molecular-Orbital Theory Predicts That a Stable Diatomic Helium Molecule Does Not Exist 341\n- **9-9.** Electrons Are Placed into Molecular Orbitals in Accord with the Pauli Exclusion Principle 342\n- **9-10.** Molecular-Orbital Theory Correctly Predicts That Oxygen Molecules Are Paramagnetic 344\n- **9-11.** Photoelectron Spectra Support the Existence of Molecular Orbitals 346\n- **9-12.** Molecular-Orbital Theory Also Applies to Heteronuclear Diatomic Molecules 346\n- **9-13.** An SCF-LCAO-MO Wave Function Is a Molecular Orbital Formed from a Linear Combination of Atomic Orbitals and Whose Coefficients Are Determined Self-Consistently 349\n- **9-14.** Electronic States of Molecules Are Designated by Molecular Term Symbols 355\n- **9-15.** Molecular Term Symbols Designate the Symmetry Properties of Molecular Wave Functions 358\n- **9-16.** Most Molecules Have Excited Electronic States 360",
|
| 93 |
+
"metadata": {
|
| 94 |
+
"Header 1": "Chapter 8",
|
| 95 |
+
"Header 2": "Inferential Statistics",
|
| 96 |
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"is_merged_section": true,
|
| 97 |
+
"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
|
| 98 |
+
}
|
| 99 |
+
},
|
| 100 |
+
{
|
| 101 |
+
"page_content": "- 4-1. The State of a System Is Completely Specified by Its Wave Function 115\n- 4-2. Quantum-Mechanical Operators Represent Classical-Mechanical Variables 118\n- **4-3.** Observable Quantities Must Be Eigenvalues of Quantum Mechanical Operators 122\n- **4-4.** The Time Dependence of Wave Functions Is Governed by the Time-Dependent Schrödinger Equation 125\n- **4-5.** The Eigenfunctions of Quantum Mechanical Operators Are Orthogonal 127\n- **4-6.** The Physical Quantities Corresponding to Operators That Commute Can Be Measured Simultaneously to Any Precision 131 \nProblems 134 \n",
|
| 102 |
+
"metadata": {
|
| 103 |
+
"Header 2": "**CHAPTER 4** / Some Postulates and General Principles of Quantum Mechanics 115",
|
| 104 |
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
|
| 105 |
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}
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| 106 |
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},
|
| 107 |
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{
|
| 108 |
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"page_content": "Problems 153",
|
| 109 |
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"metadata": {
|
| 110 |
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"Header 2": "**CHAPTER 4** / Some Postulates and General Principles of Quantum Mechanics 115",
|
| 111 |
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"Header 3": "MATHCHAPTER D / Spherical Coordinates 147",
|
| 112 |
+
"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
|
| 113 |
+
}
|
| 114 |
+
},
|
| 115 |
+
{
|
| 116 |
+
"page_content": "- **5-1.** A Harmonic Oscillator Obeys Hooke's Law 157\n- **5-2.** The Equation for a Harmonic-Oscillator Model of a Diatomic Molecule Contains the Reduced Mass of the Molecule 161\n- **5-3.** The Harmonic-Oscillator Approximation Results from the Expansion of an Internuclear Potential Around Its Minimum 163\n- \\* 5-4. The Energy Levels of a Quantum-Mechanical Harmonic Oscillator Are $E_v = \\hbar\\omega(v+\\frac{1}{2})$ with $v=0,\\ 1,\\ 2,\\ \\dots$ 166\n- 5-5. The Harmonic Oscillator Accounts for the Infrared Spectrum of a Diatomic Molecule 167\n- 5-6. The Harmonic-Oscillator Wave Functions Involve Hermite Polynomials 169\n- **5-7.** Hermite Polynomials Are Either Even or Odd Functions 172\n- **5-8** The Energy Levels of a Rigid Rotator Are $E = \\hbar^2 J(J+1)/2I$ 173 \n/~The Rigid Rotator Is a Model for a Rotating Diatomic Molecule 177 Problems 1 79",
|
| 117 |
+
"metadata": {
|
| 118 |
+
"Header 2": "CHAPTER 5 / The Harmonic Oscillator and the Rigid Rotator: Two Spectroscopic Models 157",
|
| 119 |
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
|
| 120 |
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}
|
| 121 |
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},
|
| 122 |
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{
|
| 123 |
+
"page_content": "- 6-1. The Schrodinger Equation for the Hydrogen Atom Can Be Solved Exactly 191\n- 6-2. The Wave Functions of a Rigid Rotator Are Called Spherical Harmonics 193\n- 6-3. The Precise Values of the Three Components of Angular Momentum Cannot Be Measured Simultaneously 200\n- 6-4. Hydrogen Atomic Orbitals Depend upon Three Quantum Numbers 206\n- 6-5. *s* Orbitals Are Spherically Symmetric 209\n- 6-6. There Are Three *p*Orbitals for Each Value of the Principal Quantum Number, *<sup>n</sup>*~ 2 213\n- 6-7. The Schrodinger Equation for the Helium Atom Cannot Be Solved Exactly 219 Problems 220 \n#### MATHCHAPTER E I Determinants 231 \nProblems 238",
|
| 124 |
+
"metadata": {
|
| 125 |
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"Header 2": "CHAPTER 5 / The Harmonic Oscillator and the Rigid Rotator: Two Spectroscopic Models 157",
|
| 126 |
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"Header 3": "CHAPTER 6 I The Hydrogen Atom 191",
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| 127 |
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"source_pdf": "/share/project/bs_scaling/lmse/self-evolution-explore/datasets/websources/Chemistry/F814BC5915875384820.pdf"
|
| 128 |
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}
|
| 129 |
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},
|
| 130 |
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{
|
| 131 |
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"page_content": "- <sup>~</sup>7-1. The Variational Method Provides an Upper Bound to the Ground-State Energy of a System 241\n- 7-2. A Trial Function That Depends Linearly on the Variational Parameters Leads to a Secular Determinant 249\n- 7-3. Trial Functions Can Be Linear Combinations of Functions That Also Contain Variational Parameters 256\n- <sup>~</sup>7-4. Perturbation Theory Expresses the Solution to One Problem in Terms of Another Problem Solved Previously 257 \nProblems 2 61 \n#### CHAPTER 8 I Multielectron Atoms 275 \n- 8-1. Atomic and Molecular Calculations Are Expressed in Atomic Units 275\n- 8-2. Both Perturbation Theory and the Variational Method Can Yield Excellent Results for Helium 278\n- 8-3. Hartree-Fock Equations Are Solved by the Self-Consistent Field Method 282\n- 8-4. An Electron Has an Intrinsic Spin Angular Momentum 284\n- 8-5. Wave Functions Must Be Antisymmetric in the Interchange of Any Two Electrons 285\n- 8-6. Antisymmetric Wave Functions Can Be Represented by Slater Determinants 288\n- 8-7. Hartree-Fock Calculations Give Good Agreement with Experimental Data 290\n- 8-8. A Term Symbol Gives a Detailed Description of an Electron Configuration 292\n- @jrhe Allowed Values of J are *L* + *S, L* + *S-* 1, 0 0 0, IL- Sl 296\n- 8-10. Hund's Rules Are Used to Determine the Term Symbol of the Ground Electronic State 301\n- -! 8-11. Atomic Term Symbols Are Used to Describe Atomic Spectra 302 Problems 308 \n- **@-1.** The Born-Oppenheimer Approximation Simplifies the Schrodinger Equation for Molecules 323\n- **9-2.** Hi Is the Prototypical Species of Molecular-Orbital Theory 325\n- 9-3. The Overlap Integral Is a Quantitative Measure of the Overlap of Atomic Orbitals Situated on Different Atoms 327\n- **9-4.** The Stability of a Chemical Bond Is a Quantum-Mechanical Effect 329\n- 9-5. The Simplest Molecular Orbital Treatment of Hi Yields a Bonding Orbital and an Antibonding Orbital 333\n- **9-6.** A Simple Molecular-Orbital Treatment of H2 Places Both Electrons in a Bonding Orbital 336\n- 9-7. Molecular Orbitals Can Be Ordered According to Their Energies 336\n- **9-8.** Molecular-Orbital Theory Predicts That a Stable Diatomic Helium Molecule Does Not Exist 341\n- **9-9.** Electrons Are Placed into Molecular Orbitals in Accord with the Pauli Exclusion Principle 342\n- **9-10.** Molecular-Orbital Theory Correctly Predicts That Oxygen Molecules Are Paramagnetic 344\n- **9-11.** Photoelectron Spectra Support the Existence of Molecular Orbitals 346\n- **9-12.** Molecular-Orbital Theory Also Applies to Heteronuclear Diatomic Molecules 346\n- **9-13.** An SCF-LCAO-MO Wave Function Is a Molecular Orbital Formed from a Linear Combination of Atomic Orbitals and Whose Coefficients Are Determined Self-Consistently 349\n- **9-14.** Electronic States of Molecules Are Designated by Molecular Term Symbols 355\n- **9-15.** Molecular Term Symbols Designate the Symmetry Properties of Molecular Wave Functions 358\n- **9-16.** Most Molecules Have Excited Electronic States 360",
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"metadata": {
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"Header 2": "CHAPTER 5 / The Harmonic Oscillator and the Rigid Rotator: Two Spectroscopic Models 157",
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"Header 3": "CHAPTER 7 I Approximation Methods 241",
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