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CHAPTER 7: INTRODUCTION TO QUANTUM THEORY CHAPTER 8: THE QUANTUM THEORY OF MOTION 7A: The origins of quantum mechanics 8A: Translation 7A.1 Energy quantization (a) Black-body radiation (b) Heat capacities (c) Atomic and molecular spectra 7A.2 Wave-particle duality (a) The particle character of electromagnetic radiation (b) The wave character of particles 8A.1 Free motion in one dimension 8A.2 Confined motion in one dimension (a) The acceptable solutions (b) The properties of the wavefunction (c) The properties of observables 8A.3 Confined motion in two or more dimensions (a) Separation of variables (b) Degeneracy 8A.4 Tunneling CHAPTER 9: ATOMIC STRUCTURE AND SPECTRA 9A: Hydrogenic atoms 7B:Dynamics of microscopic systems 7B.1 The Schrödinger equation 7B.2 The Born interpretation of the wavefunction (a) normalization (b) Constraints on the wave function (c) Quantization 7B.3 The probability density 7C: The principles of quantum theory 7C.1 Operators (a) Eigenvalue equations (b) The construction of operators (c) Hermitian operators (d) Orthogonality 7C.2 Superpositions and expectation values 7C.3 The uncertainty principle 7C.4 The postulates of quantum mechanics 8B: Vibrational motion 8B.1 The harmonic oscillator (a) energy levels (b) The wavefunctions 8B.2 The properties of oscillators (a) Mean values (b) Tunneling 8C: Rotational motion 8C.1 Rotation in two dimensions (aI The qualitative origin of quantized rotation (b) The solutions of the Schrödinger equation (c) Quantization of angular momentum 8C.2 Rotation in three dimensions (a) The wavefunctions (b) The energies (c) Angular momentum (d) Space quantization (e) The vector model 9A.1 The structure of hydrogen atoms (a) The separation of variables (b) The radial solutions 9A.2 Atomic orbitals and their energies (a) The specification of orbital (b) The energy levels (c) Ionization energies (d) Shells and subshells (e) s orbitals (f) Radial distribution functions (g) p orbitals (h) d orbitals 9B: Many-electron atoms 9B.1 The orbital approximation (a) The helium atom (b) Spin (c) The Pauli principle (d) Penetration and shielding 9B.2 The building-up principle (a) Hund’s rule (b) Ionization energies and electron affinities 9B.3 Self-consistent field orbitals 9C: Atomic spectra 9C.1 The spectra of hydrogen atoms 9C.2 The spectra of complex atoms (a) Singlet and triplet states (b) Spin-orbit coupling (c) Term symbols (d) Hund’s rule (e) Selection rules CHAPTER 10: MOLECULAR STRUCTURE CHAPTER 15: STATISTICAL THERMODYNAMICS CHAPTER 19: MOLECULES IN MOTION 10A: Valence-bond theory 15A: The Boltzmann distribution 19A: Transport in gases 10A.1 Diatomic molecules (a) The basic formulation (b) Resonance 10A.2 Polyatomic molecules (a) Promotion (b) Hybridization 15A.1 Configurations and weights (a) Instantaneous configurations (b) The most probable distribution (c) The relative population of states 15A.2 The derivation of the Boltzmann distribution (a) The role of constraints (b) The values of the constants 19A.1 The phenomenological equations 19A.2 The transport parameters (a) The diffusion coefficient (b) Thermal conductivity (c) Viscosity (d) Effusion 10B: Principles of molecular orbital theory 10B.1 Linear combinations of atomic orbitals (a) The construction of linear combinations (b) Bonding orbitals (c) Antibonding orbitals 10B.2 Orbital notations 10C: Homonuclear diatomic molecules 10C.1 Electron configuration (a) σ orbitals and π orbitals (b) The overlap integral (c) Period 2 diatomic molecules 10C.2 Photoelectron spectroscopy 10D: Heteronuclear diatomic molecules 10D.1 Polar bonds (a) The molecular orbital formation (b) Electronegativity 10D.2 The variation principle (a) The procedure (b) The features of the solutions 10E: Polyatomic molecules 10E.1 The Hückel approximation (a) An introduction to the method (b) The matrix formulation of the method 10E.2 Applications (a) Butadiene and π-electron binding energy (b) Benzene and aromatic stability 10E.3 Computational chemistry (a) Semi-empirical and ab initio methods (b) Density functional theory (c) Graphical representations 15B: Molecular partition functions 15B.1 The significance of the partition functions 15B.2 Contributions to the partitions function (a) The translational contribution (b) The rotational contribution (c) The vibrational contribution (d) The electronic contribution 19B.1 Experimental results (a) Liquid viscosity (b) Electrolyte solutions 19B.2 The mobilities of ions (a) The drift speed (b) Mobility and conductivity (c) The Einstein relations 15C: Molecular energies 19C: Diffusion 15C.1 The basic equations 15C.2 Contributions of the fundamental modes of motion (a) The translational contribution (b) The rotational contribution (c) The vibrational contribution (d) The electronic contribution (e) The spin contribution 19C.1 The thermodynamics view 19C.2 The diffusion equation (a) Simple diffusion (b) Diffusion with convection (c) Solutions of diffusion equation 19C.3 The statistical view 15D: The canonical ensemble 15D.1 The concept of ensembles (a) Dominating configurations (b) Fluctuations from the most probable distribution 15D.2 The mean energy of a system 15D.3 Independent molecules revisited 15D.4 The variation of energy with volume 15E The internal energy and the entropy 15E.1 The internal energy (a) The calculation of internal energy (b) Heat capacity 15E.2 The entropy (a) Entropy and the partition functions (b) The translational contribution (c) The rotational contribution (d) The vibrational contribution (e) Residual entropies 15F: Derived functions 15F.1 The derivations 15F.2 Equilibrium constants (a) The relation between K and the partition function (b) A dissociation equilibrium (c) Contributions to the equilibrium constant 19B: Motion in liquids