This is an introductory class on quantum chemistry. It covers practical aspects of computational quantum chemistry and writing. This course is being taught in the Fall of 2020 so new material will appear as we move along the semester.
Videos
Lecture Notes
- 01. The Basics of Quantum Chemistry
- 02. The Born–Oppenheimer Approximation and Potential Energy Surfaces
- 03. Hartree–Fock Theory
- 04. Characterization of Stationary Point and Vibrational Analysis
Jupyter notebooks
- 00. First psi4 computation (getting started with psi4)
- 01. The input (setting up computations using Z-matrix coordinates)