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Quantum Mechanics: An Accessible Introduction

Robert J. Scherrer

Published Jan 1, 2006• 18 citations
OpenAlex

Abstract

Table of Contents 1. The Origins of Quantum Mechanics 1.1 Introduction 1.2 Blackbody Radiation The Problem with Blackbody Radiation 1.3 The Nature of Light The Photoelectric Effect The Compton Effect Is it a Particle or a Wave? 1.4 TheWave Nature of Matter 1.5 The Bohr Atom 1.6 Where do we Stand? 2. Math Interlude A: Complex Numbers and Linear Operators 2.1 Complex Numbers 2.2 Operators Definition of an Operator Eigenfunctions and Eigenvalues 3. The Schrodinger Equation 3.1 Derivation of the Schrodinger Equation 3.2 The Meaning of theWave Function 3.3 The Time-Independent Schrodinger Equation Derivation of the Time-Independent Schrodinger Equation Qualitative Solutions and the Origin of Quantization 4. One-Dimensional Time-Independent Schrodinger Equation 4.1 Unbound States: Scattering and Tunneling Scattering From Step-Function Potentials 4.2 Bound Systems The Infinite SquareWell The Harmonic Oscillator Potential 5. Math Interlude B: Linear Algebra 5.1 Properties of Linear Operators 5.2 Vector Spaces Inner Products Adjoint and Hermitian Operators Basis Sets 6. The Three-Dimensional Time-Independent Schrodinger Equation 6.1 Solution in Rectangular Coordinates 6.2 Angular Momentum 6.3 The Schrodinger Equation in Spherical Coordinates 6.4 The Hydrogen Atom 7. Math Interlude C: Matrices, Dirac Notation, and the Dirac Delta Function 7.1 The Matrix Formulation of Linear Operators 7.2 Dirac Notation 7.3 The Dirac Delta Function 8. Spin Angular Momentum 8.1 Spin Operators 8.2 Evidence for Spin 8.3 Adding Angular Momentum 8.4 The Matrix Representation of Spin 8.5 The Stern-Gerlach Experiment 8.6 Spin Precession 8.7 Spin Systems with Two Particles Noninteracting Spins Interacting Spins 8.8 Measurement Theory Hidden Variables The ManyWorlds Interpretation of Quantum Mechanics 9. Time-Independent Perturbation Theory 9.1 Derivation of Time-Independent Perturbation Theory 9.2 Perturbations to the Atomic Energy Levels Fine Structure The Lamb Shift 9.3 The Atom in External Electric or Magnetic Fields The Atom in an Electric Field: The Stark Effect The Atom in a Magnetic Field: The Zeeman Effect 10. The Variational Principle 10.1 Variational Principle: Theory 10.2 Variational Principle: Application to the Helium Atom 11. Time-Dependent Perturbation Theory 11.1 Derivation of Time-Dependent Perturbation Theory 11.2 Application: Selection Rules for Electromagnetic Radiation 12. Scattering Theory 12.1 Definition of the Cross Section 12.2 The Born Approximation 12.3 PartialWaves 13. The Multiparticle Schrodinger Equation 13.1 Wave Function for Identical Particles 13.2 Multielectron Atoms 14. Some Modern Applications of Quantum Mechanics 14.1 Magnetic Resonance Imaging 14.2 Quantum Computing 15. What Comes Next? Relativistic Quantum Mechanics 15.1 The Klein-Gordon Equation Derivation of the Klein-Gordon Equation Probability Densities and Currents 15.2 The Dirac Equation Answers and Hints for Selected End-of-Chapter Exercises Index

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•Oct 17, 2009•9 citations
Table of Contents 1. The Origins of Quantum Mechanics 1.1 Introduction 1.2 Blackbody Radiation The Problem with Blackbody Radiation 1.3 The Nature of Light The Photoelectric Effect The Compton Effect Is it a Particle or a Wave? 1.4 TheWave Nature of Matter 1.5 The Bohr Atom 1.6 Where do we Stand? 2. Math Interlude A: Complex Numbers and Linear Operators 2.1 Complex Numbers 2.2 Operators Definition of an Operator Eigenfunctions and Eigenvalues 3. The Schrodinger Equation 3.1 Derivation of the Schrodinger Equation 3.2 The Meaning of theWave Function 3.3 The Time-Independent Schrodinger Equation Derivation of the Time-Independent Schrodinger Equation Qualitative Solutions and the Origin of Quantization 4. One-Dimensional Time-Independent Schrodinger Equation 4.1 Unbound States: Scattering and Tunneling Scattering From Step-Function Potentials 4.2 Bound Systems The Infinite SquareWell The Harmonic Oscillator Potential 5. Math Interlude B: Linear Algebra 5.1 Properties of Linear Operators 5.2 Vector Spaces Inner Products Adjoint and Hermitian Operators Basis Sets 6. The Three-Dimensional Time-Independent Schrodinger Equation 6.1 Solution in Rectangular Coordinates 6.2 Angular Momentum 6.3 The Schrodinger Equation in Spherical Coordinates 6.4 The Hydrogen Atom 7. Math Interlude C: Matrices, Dirac Notation, and the Dirac Delta Function 7.1 The Matrix Formulation of Linear Operators 7.2 Dirac Notation 7.3 The Dirac Delta Function 8. Spin Angular Momentum 8.1 Spin Operators 8.2 Evidence for Spin 8.3 Adding Angular Momentum 8.4 The Matrix Representation of Spin 8.5 The Stern-Gerlach Experiment 8.6 Spin Precession 8.7 Spin Systems with Two Particles Noninteracting Spins Interacting Spins 8.8 Measurement Theory Hidden Variables The ManyWorlds Interpretation of Quantum Mechanics 9. Time-Independent Perturbation Theory 9.1 Derivation of Time-Independent Perturbation Theory 9.2 Perturbations to the Atomic Energy Levels Fine Structure The Lamb Shift 9.3 The Atom in External Electric or Magnetic Fields The Atom in an Electric Field: The Stark Effect The Atom in a Magnetic Field: The Zeeman Effect 10. The Variational Principle 10.1 Variational Principle: Theory 10.2 Variational Principle: Application to the Helium Atom 11. Time-Dependent Perturbation Theory 11.1 Derivation of Time-Dependent Perturbation Theory 11.2 Application: Selection Rules for Electromagnetic Radiation 12. Scattering Theory 12.1 Definition of the Cross Section 12.2 The Born Approximation 12.3 PartialWaves 13. The Multiparticle Schrodinger Equation 13.1 Wave Function for Identical Particles 13.2 Multielectron Atoms 14. Some Modern Applications of Quantum Mechanics 14.1 Magnetic Resonance Imaging 14.2 Quantum Computing 15. What Comes Next? Relativistic Quantum Mechanics 15.1 The Klein-Gordon Equation Derivation of the Klein-Gordon Equation Probability Densities and Currents 15.2 The Dirac Equation Answers and Hints for Selected End-of-Chapter Exercises Index
Preface. 1. Origins of Quantum Physics. 1.1 Historical Note. 1.2 Particle Aspect of Radiation. 1.3 Wave Aspect of Particles. 1.4 Particles versus Waves. 1.5 Indeterministic Nature of the Microphysical World. 1.6 Atomic Transitions and Spectroscopy. 1.7 Quantization Rules. 1.8 Wave Packets. 1.9 Concluding Remarks. 1.10 Solved Problems. Exercises. 2. Mathematical Tools of Quantum Mechanics. 2.1 Introduction. 2.2 The Hilbert Space and Wave Functions. 2.3 Dirac Notation. 2.4 Operators. 2.5 Representation in Discrete Bases. 2.6 Representation in Continuous Bases. 2.7 Matrix and Wave Mechanics. 2.8 Concluding Remarks. 2.9 Solved Problems. Exercises. 3. Postulates of Quantum Mechanics. 3.1 Introduction. 3.2 The Basic Postulates of Quantum Mechanics. 3.3 The State of a System. 3.4 Observables and Operators. 3.5 Measurement in Quantum Mechanics. 3.6 Time Evolution of the System's State. 3.7 Symmetries and Conservation Laws. 3.8 Connecting Quantum to Classical Mechanics. 3.9 Solved Problems. Exercises. 4. One-Dimensional Problems. 4.1 Introduction. 4.2 Properties of One-Dimensional Motion. 4.3 The Free Particle: Continuous States. 4.4 The Potential Step. 4.5 The Potential Barrier and Well. 4.6 The Infinite Square Well Potential. 4.7 The Finite Square Well Potential. 4.8 The Harmonic Oscillator. 4.9 Numerical Solution of the Schrodinger Equation. 4.10 Solved Problems. Exercises. 5. Angular Momentum. 5.1 Introduction. 5.2 Orbital Angular Momentum. 5.3 General Formalism of Angular Momentum. 5.4 Matrix Representation of Angular Momentum. 5.5 Geometrical Representation of Angular Momentum. 5.6 Spin Angular Momentum. 5.7 Eigen functions of Orbital Angular Momentum. 5.8 Solved Problems. Exercises. 6. Three-Dimensional Problems. 6.1 Introduction. 6.2 3D Problems in Cartesian Coordinates. 6.3 3D Problems in Spherical Coordinates. 6.4 Concluding Remarks. 6.5 Solved Problems. Exercises. 7. Rotations and Addition of Angular Momenta. 7.1 Rotations in Classical Physics. 7.2 Rotations in Quantum Mechanics. 7.3 Addition of Angular Momenta. 7.4 Scalar, Vector and Tensor Operators. 7.5 Solved Problems. Exercises. 8. Identical Particles. 8.1 Many-Particle Systems. 8.2 Systems of Identical Particles. 8.3 The Pauli Exclusion Principle. 8.4 The Exclusion Principle and the Periodic Table. 8.5 Solved Problems. Exercises. 9. Approximation Methods for Stationary States. 9.1 Introduction. 9.2 Time-Independent Perturbation Theory. 9.3 The Variational Method. 9.4 The Wentzel Kramers Brillou in Method. 9.5 Concluding Remarks. 9.6 Solved Problems. Exercises. 10. Time-Dependent Perturbation Theory. 10.1 Introduction. 10.2 The Pictures of Quantum Mechanics. 10.3 Time-Dependent Perturbation Theory. 10.4 Adiabatic and Sudden Approximations. 10.5 Interaction of Atoms with Radiation. 10.6 Solved Problems. Exercises. 11. Scattering Theory. 11.1 Scattering and Cross Section. 11.2 Scattering Amplitude of Spinless Particles. 11.3 The Born Approximation. 11.4 Partial Wave Analysis. 11.5 Scattering of Identical Particles. 11.6 Solved Problems. Exercises. A. The Delta Function. A.1 One-Dimensional Delta Function. A.2 Three-Dimensional Delta Function. B. Angular Momentum in Spherical Coordinates. B.1 Derivation of Some General. B.2 Gradient and Laplacianin Spherical Coordinates. B.3 Angular Momentum in Spherical Coordinates. C. Computer Code for Solving the Schrodinger Equation. Index.
Part 1: the need for the quantum mechanics quantization of radiation the special theory of relativity wave-particle duality the nature of matter waves the uncertainty principle the Bohr atom. Part 2 Schrodinger's equation: the postulates of quantum mechanics the wave equation the wave equation in three dimensions the time-independent Schrodinger equation stationary states normalisation probability flux physical constraints on the wave-function wave packets Gaussian wave-packets and the uncertainty principle. Part 3 One-dimensional potential wells: potential wells the one-dimensional infinite square well discussion of infinite square-well results eigenvalue equations the finite square well finite square well eigenfunctions the control of the wave-function by the wave equation numerical integration of Schrodinger's equation continuum solutions of the square-well potential interpretation of unbound-particle wave functions the double potential well the quantum bouncer electric fields and the tilted well the harmonic oscillator - introduction the quantum oscillator discussion of harmonic oscillator eigenvalues and eigenfunctions the classical probability density more potential wells. Part 4 Schrodinger's equation in three dimensions: particle in a three dimensional box degeneracy Schrodingers equation in spherical polar coordinates - the hydrogen atom normalisation. Part 5 Formal development of quantum mechanics: eigenvalues equations, operators and measurements the momentum operator, eigenvalues and eigenfunctions the position operator and its eigenfunctions Hermitian operators orthogonality of eigenfunctions the expansion postulate example - the b-decay of tritium expectation values compatibility of observables - commutators non-commuting operators time-dependence of expectation values - Ehrenfest's theorem abstract operators - the parity operator, matrix mechanics. Part 6 Angular momentum: angular momentum operators angular momentum commutators angular momentum eigenvalues and eigenfunctions interpretation of angular momentum eigenvalues interpretation of angular momentum eigenfunctions the Stern-Gerlach apparatus and electron spin spin operators - the Pauli Spin matrices the Zeeman effect measurements in quantum mechanics. Part 7 Spherically symmetric potential wells: the rigid rotator the radial equation the hydrogen atom and hydrogen like ions the isotropic harmonic oscillator molecular vibrations - the Morse potential the spherical square well general properties of spherically symmetric potential wells. (Part contents)
QUANTUM PRINCIPLES Perspective and Principles Prelude to Quantum Mechanics Stern-Gerlach Experiment Idealized Stern-Gerlach Results Classical Model Attempts Wave Functions for Two Physical-Outcome Case Process Diagrams, Operators, and Completeness Further Properties of Operators/Modulation Operator Reformulation Operator Rotation Bra-Ket Notation/Basis States Transition Amplitudes Three-Magnet Setup Example-Coherence Hermitian Conjugation Unitary Operators A Very Special Operator Matrix Representations Matrix Wave Function Recovery Expectation Values Wrap Up Problems Free Particles in One Dimension Photoelectric Effect Compton Effect Uncertainty Relation for Photons Stability of Ground States Bohr Model Fourier Transform and Uncertainty Relations Schrodinger Equation Schrodinger Equation Example Dirac Delta Functions Wave Functions and Probability Probability Current Time Separable Solutions Completeness for Particle States Particle Operator Properties Operator Rules Time Evolution and Expectation Values Wrap-Up Problems Some One-Dimensional Solutions to the Schrodinger Equation Introduction The Infinite Square Well: Differential Solution The Infinite Square Well: Operator Solution The Finite Potential Barrier Step Potential The Harmonic Oscillator The Attractive Kronig-Penny Model Bound State and Scattering Solutions Problems Hilbert Space and Unitary Transformations Introduction and Notation Inner and Outer Operator Products Operator-Matrix Relationship Hermitian Operators and Eigenkets Gram-Schmidt Orthogonalization Process Compatible Operators Uncertainty Relations and Incompatible Operators Simultaneously Measureable Operators Unitary Transformations and Change of Basis Coordinate Displacements and Unitary Transformations Schrodinger and Heisenburg Pictures of Time Evolution Free Gaussian Wave Packet in the Heisenberg Picture Potentials and the Ehrenfest Theorem Problems Three Static Approximation Methods Introduction Time-Independent Perturbation Theory Examples of Time-Independent Perturbation Theory Aspects of Degenerate Perturbation Theory WKB Semiclassical Approximation Use of the WKB Approximation in Barrier Penetration Use of the WKB Approximation in Bound States Variational Methods Problems Generalization to Three Dimensions Cartesian Basis States and Wave Functions in Three Dimensions Position/Momentum Eigenket Generalization Example: Three-Dimensional Infinite Square Well Spherical Basis States Orbital Angular Momentum Operator Effect of Angular Momentum on Basis States Energy Eigenvalue Equation and Angular Momentum Complete Set of Observables for the Radial Schrodinger Equation Specification of Angular Momentum Eigenstates Angular Momentum Eigenvectors and Spherical Harmonics Completeness and Other Properties of Spherical Harmonics Radial Eigenfunctions Problems QUANTUM PARTICLES The Three-Dimensional Radial Equation Recap of the Situation The Free Particle The Infinite Spherical Well Potential The Deuteron The Coulomb Potential: Initial Considerations The Coulomb Potential: 2-D Harmonic Oscillator Comparison The Confined Coulombic Model Problems Addition of Angular Momenta General Angular-Momentum Eigenstate Properties Combining Angular Momenta for Two Systems Explicit Example of Adding Two Spin 1/2 Systems Explicit Example of Adding Orbital Angular Momentum and Spin 1/2 Hydrogen Atom and the Choice of Basis States Hydrogen Atom and Perturbative Energy Shifts Problems Spin and Statistics The Connection between Spin and Statistics Building Wave Functions with Identical Particles Particle Occupation Basis More on Fermi-Dirac Statistics Interaction Operator and Feynman Diagrams Implications of Detailed Balance Cubical Enclosures and Particle States Maxwell-Boltzmann Statistics Bose-Einstein Statistics Fermi-Dirac Statistics The Hartree-Fock Equations Problems Quantum Particle Scattering Introduction The One-Dimensional Integral Schrodinger Equation Reflection and Transmission Amplitudes One-Dimensional Delta-Function Scattering Step-Function Potential Scattering The Born Series The Three-Dimensional Integral Schrodinger Equation The Helmholtz Equation and Plane Waves Cross Sections and the Scattering Amplitude Scattering Phase Shifts Finite-Range Potential Scattering The Three-Dimensional Born Series Identical Particle Scattering Proton-Proton Scattering Problems Connecting to the Standard Model Introduction Discrete Symmetries Parity Time Reversal Charge Conjugation Particle Primer Particle Interactions Quantum Electrodynamics Quantum Chromodynamics Weak Interactions Beyond the Standard Model Supersymmetry Superstrings Postlude Helpful Introductory Books on Particle and String Physics More Advanced Books on Particle and String Physics Problems Appendix: Notation Comments and Comparisons Appendix: Lattice Models Appendix: 2-D Harmonic Oscillator Wave Function Normalization Appendix: Allowed Standard Model Interactions Appendix: Weak Flavor Mixing Appendix: The Ising Model and More Index
BRIEF REVIEW OF CLASSICAL THEORIES Harmonic Oscillator Boltzmann Transport Equation Maxwell's Equations MILESTONE DISCOVERIES AND OLD QUANTUM THEORY Blackbody Radiation and Quantum of Energy Specific Heat of Solids Photoelectric Effects Compton Scattering Duality of Matter Bohr?s H-Atom Theory SCHRODINGER EQUATION AND OPERATOR ALGEBRA Schrodinger Equation Momentum Eigenfunction and Fourier Series Hermitian Operator and Bra Ket Notations Orthgonality and Completeness of Eigenfunctions Basic Postulates of Quantum Mechanics Commutation Relations Conjugate Variables and Uncertainty Relation Operator Equation of Motion and Ehrenfest Theorem PARTICLE IN POTENTIAL WELL Infinite Square Well Potential Particle in 3-D Box Density of States: 1-D, 2-D and 3-D Particle in Quantum Well Particle in Delta Function Potential Well Quantum Well and Wire SCATTERING OF A PARTICLE AT 1-D POTENTIALS Scattering at Step Potential Scattering at Quantum Well TUNNELING AND ITS APPLICATIONS Tunneling across Square Potential Barrier Fowler-Nordheim and Direct Tunneling Resonant Tunneling The Applications of Tunneling PERIODIC POTENTIALS AND ENERGY BANDS 1-D Crystal and Kronig-Penny Model E-k Dispersion and Energy Bands Energy Bands and Resonant Tunneling THE HARMONIC OSCILLATOR Energy Eigenequation The Properties of Energy Eigenfunction The Operator Treatment THE ANGULAR MOMENTUM Angualr Momentum Operators Eigenfunctions and Spherical Harmonics THE HYDROGEN ATOM: THE SCHRODINGER TREATMENT Two-Body Central Force Problem The Hydrogen Atom The Atomic Orbital Virial Theorm and Doppler Shift SYSTEM OF IDENTICAL PARTICLES AND MANY-ELECTRON ATOMS Two Electron System Two Spin 1/2 System The Helium Atom The Periodic Table and the Structure of Atoms MOLECULES AND CHEMICAL BONDS The Ionized Hydrogen Molecule The Hydrogen Molecule Ionic Bond and Van der Waals Attraction THE PERTURBATION THEORY Time Independent Perturbation in Non-Degenerate Systems Time Dependent Perturbation Theory ATOM - FIELD INTERACTION Field Quantization Atom - Field Interaction Driven, Damped Two Level Atom INTERACTION BETWEEN EM WAVES AND OPTICAL MEDIA Attenuation and Dispersion of Waves Density Matrix and Ensemble Averaging Laser Devices QUANTUM STATISTICS General Background and Three Kinds of Particles Statistics for Distinguishable particles Statistics for Fermions and Fermi Distribution Function Statistics for Boson and Bose Einstein Distribution SEMICONDUCTOR STATISTICS Carrier Densities in Intrinsic Semiconductors Carrier Densities in Extrinsic Semiconductors Fermi Level in Extrinsic Semiconductors CHARGE TRANSPORT IN SEMICONDUCTORS Drift and Diffusion Currents Transport Coefficients Equilibrium and Non-Equilibrium Recombination and Generation Currents P-N JUNCTION DIODE The Junction Interface in Equilibrium The Junction Interface Under Bias The Diode I-V Applications of P-N Junction Diodes THE BIPOLAR JUNCTION TRANSISTOR: DEVICE PHYSICS AND TECHNOLOGY Bipolar Junction Transistor: Overview The Physics of Transistor Action Ebers Moll Equations Base Transit Time and Charge Control Model METAL OXIDE SILICON FIELD EFFECT TRANSISTORS (MOSFET) I: OVERVIEW OF DEVICE BEHAVIOR AND APPLICATIONS MOSFET: Overview Charge Control and Metal-Oxide-Silicon System NMOS I-V Applications of MOSFET METAL OXIDE SILICON FIELD EFFECT TRANSISTORS (MOSFET) II: DEVICE SCALING AND SCHOTTKY CONTACT Device Scaling: Physical issues and Limitations Metal - Semiconductor Contacts The I-V Behavior in Metal - Semiconductor Contacts
1: The Birth of Quantum Theory. 1.1: The radiation of an ideal black body. 1.2: Line spectra and Bohr's model of the atom. 1.3: The quantum conditions of Bohr-Sommerfield. 1.4: Waves of matters. Comments. Problems. 2: Classical Physics - Quantum Physics. 2.1: The difficulties of classical theory. 2.2: The successes of quantum theory. 2.3: Problems with interpretation of quantum theory. 2.4: Quantum theory (1930. Problems. II: Schrodinger's Equation and the Interpretation of its Solutions. 3: Schrodinger's Equation. 3.1: The Schrodinger equation with time. 3.2: The time-dependent Schrodinger equation. Comments. Problems. 4: The Probabilistic Interpretation of the Wavefunction. Comments. Problems. 5: The Motion of a Free Particle in Wave Mechanics. 5.1: The spreading of wave packets. 5.2: The initial problem for Schrodinger's free particle equation. 5.3: The Gaussian wave packet. Comments. Problems. 6: The Momentum of a Particle and the Fourier Transformation of the Wavefunction. Comments. Problems. 7: Description of Experiments in Wave Mechanics and the Heinsberg Uncertainty Principle. 7.1: Heisenberg's uncertainty principle. 7.2: The entropic uncertainty principle. Comments. Problems. 8: A Charged Particle in an Electromagnetic Field. Comments. Problems. 9: The Hydrodynamic Formulation of Wave Mechanics. 9.1: The motion of the probability fluid in an electromagnetic field. Comments. Problems. 10: The Spin of the Elctron and Pauli's Equation. 10.1: The magnetic moment vector. 10.2: Pauli's equation. 10.3: The Stern-Gerlach experiments. Comments. Problems. 11: The Hydrodynamic Picture of Wave Mechanics of a Particle with Spin. Comments. Problems. 12: Ehrenfest's Equations. 12.1: A particle with spin in the electromagnetic field. Problems. 13: Descriptiopn of Particle Motion in Phase Space -- Wigner's Function. Comments. Problems. 14: Mixed States. 14.1: An unpolarized beam as a mixed state. Comments. Problems. III: Solutions of Schrodinger's Equation. 15: Classification of Solutions to Schrodinger's Equation. 15.1: Scattering states. 15.2: The completeness of the set of bound and scattering state wavefunctions. 15.3: Orthogonality of the wavefunctions. 15.4: Development of the system in time. 15.5: Bound and scattered states. Problems. 16: Bound States and Energy. 16.1: The three-dimensional spherically symmetric potential well. Comments. Problems. 17: Scattering States and Collision Cross-sections. 17.1: One-dimensional scattering. 17.2: The method of integral equations. 17.3: Three-dimensional scattering. 17.4: The scattering amplitude. 17.5: The S matrix. 17.6: Collision cross-section. 17.7: The optical theorem. Comments. Problems. 18: Partial Waves and Wave Effects in Scattering. 18.1: Phase shifts. 18.2: The spherical potential hump. 18.3: The Ramsauer-Townsend effect. 18.4: The extinction paradox. Comments. Problems. 19: Resonance States. Problems. 20: The Coulomb Potential. 20.1: Bound states. 20.2: Scattering states. Comments. Problems. 21
CHAPTER 1: FROM CLASSICAL TO QUANTUM MECHANICS 1.1 Why Study Quantum Mechanics? 1.2 Quantum Mechanics Arose Out of the Interplay of Experiments and Theory 1.3 Blackbody Radiation 1.4 The Photoelectric Effect 1.5 Particles Exhibit Wave-Like Behavior 1.6 Diffraction by a Double Slit 1.7 Atomic Spectra and the Bohr Model for the Hydrogen Atom CHAPTER 2: THE SCHRODINGER EQUATION 2.1 What Determines If a System Needs to Be Described Using Quantum Mechanics? 2.2 Classical Waves and the Nondispersive Wave Equation 2.3 Waves Are Conveniently Represented as Complex Functions 2.4 Quantum Mechanical Waves and the Schrodinger Equation 2.5 Solving the Schrodinger Equation: Operators, Observables, Eigenfunctions, and Eigenvalues 2.6 The Eigenfunctions of a Quantum Mechanical Operator Are Orthogonal 2.7 The Eigenfunctions of a Quantum Mechanical Operator Form a Complete Set 2.8 Summing Up the New Concepts CHAPTER 3: THE QUANTUM MECHANICAL POSTULATES 3.1 The Physical Meaning Associated with the Wave Function 3.2 Every Observable Has a Corresponding Operator 3.3 The Result of an Individual Measurement 3.4 The Expectation Value 3.5 The Evolution in Time of a Quantum Mechanical System CHAPTER 4: USING QUANTUM MECHANICS ON SIMPLE SYSTEMS 4.1 The Free Particle 4.2 The Particle in a One-Dimensional Box 4.3 Two- and Three-Dimensional Boxes 4.4 Using the Postulates to Understand the Particle in the Box and Vice Versa CHAPTER 5: THE PARTICLE IN THE BOX AND THE REAL WORLD 5.1 The Particle in the Finite Depth Box 5.2 Differences in Overlap between Core and Valence Electrons 5.3 Pi Electrons in Conjugated Molecules Can Be Treated as Moving Freely in a Box 5.4 Why Does Sodium Conduct Electricity and Why Is Diamond an Insulator? 5.5 Tunneling through a Barrier 5.6 The Scanning Tunneling Microscope 5.7 Tunneling in Chemical Reactions 5.8 (Supplemental) Quantum Wells and Quantum Dots CHAPTER 6: COMMUTING AND NONCOMMUTING OPERATORS AND THE SURPRISING CONSEQUENCES OF ENTANGLEMENT 6.1 Commutation Relations 6.2 The Stern-Gerlach Experiment 6.3 The Heisenberg Uncertainty Principle 6.4 (Supplemental) The Heisenberg Uncertainty Principle Expressed in Terms of Standard Deviations 6.5 (Supplemental) A Thought Experiment Using a Particle in a Three-Dimensional Box 6.6 (Supplemental) Entangled States, Teleportation, and Quantum Computers CHAPTER 7: A QUANTUM MECHANICAL MODEL FOR THE VIBRATION AND ROTATION OF MOLECULES 7.1 Solving the Schrodinger Equation for the Quantum Mechanical Harmonic Oscillator 7.2 Solving the Schrodinger Equation for Rotation in Two Dimensions 7.3 Solving the Schrodinger Equation for Rotation in Three Dimensions 7.4 The Quantization of Angular Momentum 7.5 The Spherical Harmonic Functions 7.6 (Optional Review) The Classical Harmonic Oscillator 7.7 (Optional Review) Angular Motion and the Classical Rigid Rotor 7.8 (Supplemental) Spatial Quantization CHAPTER 8: THE VIBRATIONAL AND ROTATIONAL SPECTROSCOPY OF DIATOMIC MOLECULES 8.1 An Introduction to Spectroscopy 8.2 Absorption, Spontaneous Emission, and Stimulated Emission 8.3 An Introduction to Vibrational Spectroscopy 8.4 The Origin of Selection Rules 8.5 Infrared Absorption Spectroscopy 8.6 Rotational Spectroscopy 8.7 (Supplemental) Fourier Transform Infrared Spectroscopy 8.8 (Supplemental) Raman Spectroscopy 8.9 (Supplemental) How Does the Transition Rate between States Depend on Frequency? CHAPTER 9: THE HYDROGEN ATOM 9.1 Formulating the Schrodinger Equation 9.2 Solving the Schrodinger Equation for the Hydrogen Atom 9.3 Eigenvalues and Eigenfunctions for the Total Energy 9.4 The Hydrogen Atom Orbitals 9.5 The Radial Probability Distribution Function 9.6 The Validity of the Shell Model of an Atom CHAPTER 10: MANY-ELECTRON ATOMS 10.1 Helium: The Smallest Many-Electron Atom 10.2 Introducing Electron Spin 10.3 Wave Functions Must Reflect the Indistinguishability of Electrons 10.4 Using the Variational Method to Solve the Schrodinger Equation 10.5 The Hartree-Fock Self-Consistent Field Method 10.6 Understanding Trends in the Periodic Table from Hartree-Fock Calculations CHAPTER 11: QUANTUM STATES FOR MANY-ELECTRON ATOMS AND ATOMIC SPECTROSCOPY 11.1 Good Quantum Numbers, Terms, Levels, and States 11.2 The Energy of a Configuration Depends on Both Orbital and Spin Angular Momentum 11.3 Spin-Orbit Coupling Breaks Up a Term into Levels 11.4 The Essentials of Atomic Spectroscopy 11.5 Analytical Techniques Based on Atomic Spectroscopy 11.6 The Doppler Effect 11.7 The Helium-Neon Laser 11.8 Laser Isotope Separation 11.9 Auger Electron and X-Ray Photoelectron Spectroscopies 11.10 Selective Chemistry of Excited States: O(3P) and O(1D) 11.11 (Supplemental) Configurations with Paired and Unpaired Electron Spins Differ in Energy CHAPTER 12: THE CHEMICAL BOND IN DIATOMIC MOLECULES 12.1 The Simplest One-Electron Molecule: 12.2 The Molecular Wave Function for Ground-State 12.3 The Energy Corresponding to the H2+ Molecular Wave Functions 12.4 A Closer Look at the H2+ Molecular Wave Functions 12.5 Combining Atomic Orbitals to Form Molecular Orbitals 12.6 Molecular Orbitals for Homonuclear Diatomic Molecules 12.7 The Electronic Structure of Many-Electron Molecules 12.8 Bond Order, Bond Energy, and Bond Length 12.9 Heteronuclear Diatomic Molecules 12.10 The Molecular Electrostatic Potential CHAPTER 13: MOLECULAR STRUCTURE AND ENERGY LEVELS FOR POLYATOMIC MOLECULES 13.1 Lewis Structures and the VSEPR Model 13.2 Describing Localized Bonds Using Hybridization for Methane, Ethene, and Ethyne 13.3 Constructing Hybrid Orbitals for Nonequivalent Ligands 13.4 Using Hybridization to Describe Chemical Bonding 13.5 Predicting Molecular Structure Using Molecular Orbital Theory 13.6 How Different Are Localized and Delocalized Bonding Models? 13.7 Qualitative Molecular Orbital Theory for Conjugated and Aromatic Molecules: The Huckel Model 13.8 From Molecules to Solids 13.9 Making Semiconductors Conductive at Room Temperature CHAPTER 14: ELECTRONIC SPECTROSCOPY 14.1 The Energy of Electronic Transitions 14.2 Molecular Term Symbols 14.3 Transitions between Electronic States of Diatomic Molecules 14.4 The Vibrational Fine Structure of Electronic Transitions in Diatomic Molecules 14.5 UV-Visible Light Absorption in Polyatomic Molecules 14.6 Transitions among the Ground and Excited States 14.7 Singlet--Singlet Transitions: Absorption and Fluorescence 14.8 Intersystem Crossing and Phosphorescence 14.9 Fluorescence Spectroscopy and Analytical Chemistry 14.10 Ultraviolet Photoelectron Spectroscopy 14.11 Single Molecule Spectroscopy 14.12 Fluorescent Resonance Energy Transfer (FRET) 14.13 Linear and Circular Dichroism 14.14 (Supplemental) Assigning + and -- to Terms of Diatomic Molecules CHAPTER 15: COMPUTATIONAL CHEMISTRY 15.1 The Promise of Computational Chemistry 15.2 Potential Energy Surfaces 15.3 Hartree-Fock Molecular Orbital Theory: A Direct Descendant of the Schrodinger Equation 15.4 Properties of Limiting Hartree-Fock Models 15.5 Theoretical Models and Theoretical Model Chemistry 15.6 Moving Beyond Hartree-Fock Theory 15.7 Gaussian Basis Sets 15.8 Selection of a Theoretical Model 15.9 Graphical Models 15.10 Conclusion CHAPTER 16: MOLECULAR SYMMETRY 16.1 Symmetry Elements, Symmetry Operations, and Point Groups 16.2 Assigning Molecules to Point Groups 16.3 The H2O Molecule and the C2v Point Group 16.4 Representations of Symmetry Operators, Bases for Representations, and the Character Table 16.5 The Dimension of a Representation 16.6 Using the C2v Representations to Construct Molecular Orbitals for H2O 16.7 The Symmetries of the Normal Modes of Vibration of Molecules 16.8 Selection Rules and Infrared versus Raman Activity 16.9 (Supplemental) Using the Projection Operator Method to Generate MOs That Are Bases for Irreducible Representations CHAPTER 17: NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY 17.1 Intrinsic Nuclear Angular Momentum and Magnetic Moment 17.2 The Energy of Nuclei of Nonzero Nuclear Spin in a Magnetic Field 17.3 The Chemical Shift for an Isolated Atom 17.4 The Chemical Shift for an Atom Embedded in a Molecule 17.5 Electronegativity of Neighboring Groups and Chemical Shifts 17.6 Magnetic Fields of Neighboring Groups and Chemical Shifts 17.7 Multiplet Splitting of NMR Peaks Arises through Spin--Spin Coupling 17.8 Multiplet Splitting When More Than Two Spins Interact 17.9 Peak Widths in NMR Spectroscopy 17.10 Solid-State NMR 17.11 NMR Imaging 17.12 (Supplemental) The NMR Experiment in the Laboratory and Rotating Frames 17.13 (Supplemental) Fourier Transform NMR Spectroscopy 17.14 (Supplemental) Two-Dimensional NMR