CHEM 565

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Introduction to Quantum Chemistry

Chemistry and Biochemistry College of Computational, Mathematical, & Physical Sciences

Course Description

Introduction to physical and mathematical aspects of quantum theory, emphasizing application of the Schrodinger wave equation to chemical systems.

When Taught

Winter

Min

3

Fixed/Max

3

Fixed

3

Fixed

0

Title

Outcome 1

Learning Outcome

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.

Title

Outcome 2

Learning Outcome

Interpret the wavefunctions in #1 by calculating probability in a region, expectation values and matrix elements of Hermitian operators corresponding to physical observables.

Title

Outcome 3

Learning Outcome

Use as necessary to solve problems: commutators of operators, basis set expansions, perturbation theory (degenerate and nondegenerate) and the variational principle.

Title

Outcome 4

Learning Outcome

Describe how the Hartree-Fock SCF method works and use Slater determinants of spin and spatial eigenfunctions to build anti-symmetric atomic wavefunctions