Page 9 - Physical chemistry eng
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viii CONTENTS
17 Commuting and Noncommuting 20 The Hydrogen Atom 465
Operators and the Surprising 20.1 Formulating the Schrödinger Equation 465
Consequences of Entanglement 383 20.2 Solving the Schrödinger Equation for the
Hydrogen Atom 466
17.1 Commutation Relations 383
20.3 Eigenvalues and Eigenfunctions for the
17.2 The Stern–Gerlach Experiment 385
Total Energy 467
17.3 The Heisenberg Uncertainty Principle 388
20.4 The Hydrogen Atom Orbitals 473
17.4 (Supplemental) The Heisenberg Uncertainty
20.5 The Radial Probability Distribution
Principle Expressed in Terms of Standard
Function 475
Deviations 392
20.6 The Validity of the Shell Model of
17.5 (Supplemental) A Thought Experiment Using a
an Atom 479
Particle in a Three-Dimensional Box 394
17.6 (Supplemental) Entangled States, Teleportation,
and Quantum Computers 396 21 Many-Electron Atoms 483
21.1 Helium: The Smallest Many-Electron Atom 483
18 A Quantum Mechanical Model for 21.2 Introducing Electron Spin 485
the Vibration and Rotation of 21.3 Wave Functions Must Reflect the
Indistinguishability of Electrons 486
Molecules 405
21.4 Using the Variational Method to Solve the
18.1 The Classical Harmonic Oscillator 405
Schrödinger Equation 490
18.2 Angular Motion and the Classical Rigid Rotor 409
21.5 The Hartree–Fock Self-Consistent Field
18.3 The Quantum Mechanical Harmonic Method 491
Oscillator 411
21.6 Understanding Trends in the Periodic Table
18.4 Quantum Mechanical Rotation in Two from Hartree–Fock Calculations 499
Dimensions 416
18.5 Quantum Mechanical Rotation in Three
Dimensions 419 22 Quantum States for
18.6 The Quantization of Angular Momentum 421 Many-Electron Atoms and
18.7 The Spherical Harmonic Functions 423 Atomic Spectroscopy 507
18.8 Spatial Quantization 425
22.1 Good Quantum Numbers, Terms, Levels, and
States 507
19 The Vibrational and Rotational 22.2 The Energy of a Configuration Depends on Both
Spectroscopy of Diatomic Orbital and Spin Angular Momentum 509
22.3 Spin-Orbit Coupling Breaks Up a Term into
Molecules 431
Levels 516
19.1 An Introduction to Spectroscopy 431 22.4 The Essentials of Atomic Spectroscopy 517
19.2 Absorption, Spontaneous Emission, and 22.5 Analytical Techniques Based on Atomic
Stimulated Emission 433 Spectroscopy 519
19.3 An Introduction to Vibrational Spectroscopy 435 22.6 The Doppler Effect 522
19.4 The Origin of Selection Rules 438 22.7 The Helium-Neon Laser 523
19.5 Infrared Absorption Spectroscopy 440 22.8 Laser Isotope Separation 526
19.6 Rotational Spectroscopy 443 22.9 Auger Electron and X-Ray Photoelectron
19.7 (Supplemental) Fourier Transform Infrared Spectroscopies 527
Spectroscopy 449 22.10 Selective Chemistry of Excited States:
3
1
19.8 (Supplemental) Raman Spectroscopy 451 O( P) and O( D) 530
19.9 (Supplemental) How Does the Transition Rate 22.11 (Supplemental) Configurations with Paired and
between States Depend on Frequency? 453 Unpaired Electron Spins Differ in Energy 531
