Chemistry and Biochemistry
 

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.
CHEM
565
 Hours3.0 Credit, 3.0 Lecture, 0.0 Lab
 PrerequisitesCHEM 462 & CHEM 463
 TaughtFall
 ProgramsContaining 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