[UPPSALA UNIVERSITY]Quantum Physical Chemistry
Pro Orlando Tapia-Olivares这个笔记都快写成一本书了，比较全面。
I. Quantum Language
1. Chemical Change & Quantum Language
1.1.Chemical versus quantum state concepts: a model
1.2.From chemical to quantum time evolution
1.3.Quantum dynamics.
1.3.1. Time dependent Schrödinger equation
1.3.2. Time evolution operator
1.3.3. Base change: Similarity transformations
1.4.Elementary chemical quantum dynamics: completing the model
2. Basic Quantum Formalism
2.1.Axioms of quantum mechanics
2.2.Operators in Hilbert space
2.3.Density matrix operators
2.4.Density matrix at a Fence
3. Quantum Theory in Space-time I-frames
3.1.Configuration space
3.2.Translation operator
3.3.Rotation Invariance: Angular momentum
3.3.1. Base states and eigenvalues
3.3.2. Ladder operators
3.3.3. Matrix representations
3.3.4. Angular momentum and rotations
3.4.Addition of angular momenta
3.4.1. Addition of two angular momenta
3.4.2. Clebsch-Gordan coefficients
3.4.3. Wigner coefficients
3.4.4. Adding three angular momenta
3.4.5. 6j symbols
3.5.Orbital and spin base functions
3.5.1. Orbital angular momentum; Spherical harmonics
3.5.2. Spin angular momentum
3.5.3. Electron states base functions
3.5.4. Nuclear spin systems
3.6.Irreducible tensor operators
3.7.Wigner-Eckart theorem
3.8.Discrete symmetries
3.8.1. Parity
3.8.2. Time reversal
3.8.3. Double groups
3.8.4. Permutation symmetry
4. Formalisms-theories-models
4.1. At a Fence: quantum formalism
4.1.1. Global scheme
4.1.2. Schrödinger and Heisenberg representations
4.1.3. Interaction representation
4.2. Systems at Fences: Real space
4.3.Fence analogical quantization: Feynman Path Integral Method
4.4. Box particle-states and particles (I-frames) in a box
4.5. External potentials: Fence models
4.5.1. Harmonic oscillator
4.5.2. Hydrogen-like atoms
5. Radiation field
5.1. Classical Maxwell equations
5.2. Quantum electrodynamics: elements
5.3. Photon spin
6. Matter-radiation interactions
6.1. Minimal coupling
6.2. Time evolution and Molecular Hamiltonian
6.3. Base functions and processes
6.4. Sources and Sinks
7. Photon Physical Chemistry
7.1. Entanglement
7.2. Scattering
8. Relativistic Quantum Mechanics in configuration space
8.1. Klein-Gordon equation
8.2.Dirac equation
8.3.Hydrogen-like atoms: relativistic model
9. Non-relativistic limits
9.1.Non-relativistic limit for Dirac equation
9.2.Pauli 2-spinor equation
10. Complex systems
10.1. Crystals and quasi-crystals
10.2. Bose-Einstein condensates
10.3. Base states in magnetic fields
10.3.1. Spin-orbit interactions
10.3.2. Nuclear & electronic magnetic interactions
10.3.3. External magnetic fields
II. Quantum Theory at Fences
11. Measurement theory: ”Possibilities” & “Probabilities
11.1.Hilbert space and Fence events
11.2.Recording quantum states
11.3.Stern-Gerlach experiments
11.4.Reading recordings
11.5.Probability picture
11.6.Overview
12. Probing the Atom
2.1. Penning trap
13. Cavity base states
14. Quantum Principles for Lasers
15. Coherent states probing
IV. Molecular quantum mechanics
1. Molecular Hamiltonian
2. Exact solutions: Irreducible tensorial sets
3. Semi-classical theory. Electronuclear separability
3.1. Potential energy surfaces
3.2. Exact diabatic electronic theory
4. Model schemes
4.1. Rigged Born-Oppenheimer model
4.2. Born-Oppenheimer-Huang model
4.3. Jahn-Teller Effect: vibronic coupling
5. Theory of chemical mechanisms
5.1. Generalized electronic diabatic model
5.2. Generalized Marcus approach
5.3. Sono-chemistry and sono-luminescence
6. Statistical mechanics: From coherent chemical states to counting methods
6.1. Single system complete spectra
6.2. Non-interacting N-single systems: Jaynes-Shannon model
V. Contemporary topics
1.1 Dynamic spin chemistry
1.2 Quantum dots
1.3 Quantum computing
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