Introduction to Quantum Chemistry
Introduction to Quantum Chemistry
Introduction to physical and mathematical aspects of quantum theory, emphasizing application of the Schrodinger wave equation to chemical systems.
| Hours | 3.0 Credit, 3.0 Lecture, 0.0 Lab |
| Prerequisites | CHEM 462 & CHEM 463 |
| Taught | Fall |
| Programs | Containing CHEM 565 |
Course Outcomes:
Outcome 1
Write and solve the Schrödinger equation in 1, 2 or 3 dimensions for 1, 2, or N particles for typical model problems and describe the meaning and significance of the solutions.
Outcome 2
Interpret the wavefunctions in #1 by calculating probability in a region, expectation values and matrix elements of Hermitian operators corresponding to physical observables.
Outcome 3
Use as necessary to solve problems: commutators of operators, basis set expansions, perturbation theory (degenerate and nondegenerate) and the variational principle.
Outcome 4
Describe how the Hartree-Fock SCF method works and use Slater determinants of spin and spatial eigenfunctions to build anti-symmetric atomic wavefunctions