Introduction to Quantum Mechanics
in Chemistry, Materials Science, and BiologyBy
- Sy Blinder, Wolfram Research, Inc., Chicago, IL, USA and University of Michigan, Ann Arbor, USA
This book provides a lucid, up-to-date introduction to the principles of quantum mechanics at the level of undergraduates and first-year graduate students in chemistry, materials science, biology and related fields. It shows how the fundamental concepts of quantum theory arose from classic experiments in physics and chemistry, and presents the quantum-mechanical foundations of modern techniques including molecular spectroscopy, lasers and NMR. Blinder also discusses recent conceptual developments in quantum theory, including Schrödinger's Cat, the Einstein-Podolsky-Rosen experiment, Bell's theorem and quantum computing.
Appropriate introduction to Quantum Mechanics for students in Physical Chemistry, Materials Science, Engineering, and biological sciences. Will be of interest to students, faculty, and lay readers who want a concise but correct discussion of the general concepts of QM.
Paperback, 319 Pages
Published: June 2004
Imprint: Academic Press
Introduction to Quantum Mechanicsis probably suited as a graduate text for students outside chemistry who need to understand quantum mechanics without undertaking a full year of physical chemistry. In addition to mastering the mechanics, lucky readers of this book will explore the fascinating philosophical and metaphysical implications launched into popular culture the word, quantum.
Kevin. M. Dunn, Hampden-Sydney College, VA, USA, JOURNAL OF CHEMICAL EDUCATION, Vol. 82, No. 3, 2005
- Preface1. ATOMS AND PHOTONS1.1 Atomic and Subatomic Particles1.2 Electromagnetic Waves1.3 Three Failures of Classical Physics1.4 Blackbody Radiation1.5 The Photoelectric Effect 1.6 Line Spectra1A. Maxwell's Equations1B. Planck Radiation Law2. WAVES AND PARTICLES2.1 Double-Slit Experiment2.2 Wave-Particle Duality2.3 The Schrodinger Equation2.4 Operators and Eigenvalues2.5 The Wavefunction Exercises3 SIMPLE SYSTEMS3.1 Free Particle3.2 Particle in a Box3.3 Free-Electron Model3.4 Three-Dimensional BoxExercises4. PRINCIPLES OF QUANTUM MECHANICS4.1 Hermitian Operators4.2 Eigenvalues and Eigenfunctions4.3 Expectation Values4.4 More on Operators4.5 Postulates of Quantum Mechanics4.6 Dirac Notation4.7 Variational Principle4.8 Spectroscopic Transitions4A. Radiative Transitions Exercises5. HARMONIC OSCILLATOR5.1 Classical Oscillator5.2 Quantum Harmonic Oscillator5.3 Eigenfunctions and Eigenvalues5.4 Operator Formulation5.5 Quantum Theory of Radiation5A. Gaussian Integrals5B. Hermite PolynomialsExercises6. ANGULAR MOMENTUM6.1 Particle in a Ring6.2 Free Electron Model6.3 Spherical Polar Coordinates6.4 Rotation in Three Dimensions6.5 Theory of Angular Momentum6.6 Electron Spin6.7 Addition of Angular Momenta6A. Curvilinear Coordinates 6B. Spherical Harmonics6C. Pauli Spin Algebra7. HYDROGEN ATOM7.1 Atomic Spectra7.2 The Bohr Atom7.3 Hydrogenlike Atoms7.4 Ground State7.5 Atomic Orbitals7.6 p- and d-Orbitals7.7 Summary on Atomic Orbitals7.8 Reduced Mass7A. Laguerre PolynomialsExercises8. HELIUM ATOM8.1 Experimental Energies8.2 Variational Calculations8.3 Spinorbitals and the Exclusion Principle8.4 Excited States of HeliumExercises9. ATOMIC STRUCTURE9.1 Slater Determinants9.2 Aufbau Principles9.3 Atomic Configurations and Term Symbols9.4 Periodicity of Atomic Properties9.5 Relativistic Effects9.6 Spiral Periodic Table9.7 Self-Consistent FieldExercises10. THE CHEMICAL BOND10.1 The Hydrogen Molecule10.2 Valence Bond Theory10.3 Molecular Geometry10.4 Hypervalent Compounds10.5 Valence-Shell Model10.6 Transition Metal Complexes10.7 The Hydrogen Bond10.8 Critique of Valence-Bond TheoryExercises11. DIATOMIC MOLECULE ORBITALS11.1 Hydrogen Molecule-Ion11.2 LCAO Approximation11.3 Homonuclear Diatomics11.4 Variational Computations11.5 Heteronuclear Molecules11.6 Electronegativity Exercises12. POLYATOMIC MOLECULES12.1 Huckel MO's12.2 Woodward-HoÆmann12.3 Metals and Semiconductors12.4 Computational Chemistry12.5 Density Functional TheoryExercises13. MOLECULAR SYMMETRY13.1 The Ammonia Molecule13.2 Group Theory13.3 Quantum Mechanics13.4 Molecular Orbitals for Ammonia13.5 Selection Rules13.6 The Water Molecule13.7 Walsh Diagrams13.8 Molecular Symmetry Groups13.9 Dipole Moments and Optical Activity13.10 Character tables Exercises14. MOLECULAR SPECTROSCOPY14.1 Vibration of Diatomic Molecules14.2 Vibration of Polyatomic Molecules14.3 Rotation of Diatomic Molecules14.4 Rotation-Vibration Spectra14.5 Molecular Parameters from Spectroscopy14.6 Rotation of Polyatomic Molecules14.7 Electronic Excitations14.8 Lasers14.9 Raman SpectroscopyExercises15. NUCLEAR MAGNETIC RESONANCE15.1 Magnetic Properties of Nuclei15.2 Nuclear Magnetic Resonance15.3 The Chemical Shift15.4 Spin-Spin Coupling15.5 Mechanism for Spin-Spin Interactions15.6 Magnetization and Relaxation Processes15.7 Pulse Techniques and Fourier Transforms15.8 Two-Dimensional NMR15.9 Magnetic Resonance ImagingExercises16. WONDERS OF THE QUANTUM WORLD16.1 The Copenhagen Interpretation16.2 Superposition16.3 Schrodinger's Cat16.4 Einstein-Podolsky-Rosen Experiment16.5 Bell's Theorem16.6 Aspect's Experiment16.7 Multiple Photon Entanglement16.8 Quantum ComputersExercisesSuggested ReferencesAnswers to Exercises