Chemistry 131A: Quantum Principles
Chemistry 131A: Quantum Principles (Winter 2014, UC Irvine). Instructor: Professor A. J. Shaka. This course provides an introduction to quantum mechanics and principles of quantum chemistry with applications to nuclear motions and the electronic structure of the hydrogen atom.
It also examines the Schrodinger equation and study how it describes the behavior of very light particles, the quantum description of rotating and vibrating molecules is compared to the classical description, and the quantum description of the electronic structure of atoms is studied.
| Lecture 01 - Introduction |
| Lecture 02 - Particles, Waves, Uncertainty Principle and Postulates |
| Lecture 03 - More Postulates, Superposition, Operators and Measurement |
| Lecture 04 - Complementarity, Quantum Encryption, Schrodinger Equation |
| Lecture 05 - Model 1D Quantum Systems: "The Particle In a Box" |
| Lecture 06 - Quantum Mechanical Tunneling |
| Lecture 07 - Tunneling Microscopy and Vibrations |
| Lecture 08 - More on Vibrations and Approximation Techniques |
| Lecture 09 - Potentials + Quantization in Two Spatial Dimensions |
| Lecture 10 - Particles on Rings and Spheres... A Prelude to Atoms |
| Lecture 11 - Particle on a Sphere, Angular Momentum |
| Lecture 12 - Spin, The Vector Model and Hydrogen Atoms |
| Lecture 13 - Hydrogen Atoms: Radial Functions & Solutions |
| Lecture 14 - Atomic Spectroscopy Selection Rules, Coupling, and Terms |
| Lecture 15 - Hydrogen Wavefunctions, Quantum Numbers, Term Symbols |
| Lecture 16 - Energy Level Diagrams (cont.), Spin-Orbit Coupling and the Pauli Principle |
| Lecture 17 - Approximation Methods: Variational Principle, Atomic Units, Preparation for Two-electron Systems |
| Lecture 18 - The Hydride Ion (cont.): Two-electron Systems |
| Lecture 19 - The Hydride Ion (Try #3!): The Orbital Philosophy |
| Lecture 20 - Hartee-Fock Calculations, Spin, and Slater Determinants |
| Lecture 21 - Bigger Atoms, Hund's Rules and the Aufbau Principle |
| Lecture 22 - The Born-Oppenheimer Approximation and H2+ |
| Lecture 23 - LCAO-MO Approximation Applied to H2+ |
| Lecture 24 - Molecular Orbital: The Virial Theorem in Action |
| Lecture 25 - Optimizing H2+ Molecular Orbital, H2, & Config Interaction |
| Lecture 26 - Qualitative MO Theory |
| Lecture 27 - CH4 Molecular Orbitals and Delocalized Bonding |
| Lecture 28 - What We've Covered: Course Summary |
| References |
Chem 131A - Quantum Principles
Instructor: Professor A. J. Shaka. This course provides an introduction to quantum mechanics and principles of quantum chemistry with applications to nuclear motions and the electronic structure of the hydrogen atom.
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