CHEM 725 / Group Theory

1.5 unit(s)

The principles of group theory and its application to atomic and molecular electronic structure. Basic Aspects: symmetry elements and operations; matrix representations; great orthogonality theorem; character tables; special groups. Techniques: reduction of representations; symmetry aspects of wave functions and quantum mechanical integrals; direct sum and direct product representations; projection operators; SALCs. Applications to Electronic Structure: atomic symmetry; angular momentum coupling; irreducible tensor methods; Wigner-Eckart theorem; p-MO theory; s- & p-treatments of small organic molecules; M.O. theory of organometallic compounds. The different instructors place emphasis on different applications of group theory in chemistry, such as molecular orbital theory of inorganic compounds, electronic spectroscopy, or vibrational spectroscopy.