CHEM 580: Introduction to Computational Quantum Chemistry
(3-0) Cr. 3. Alt. F., offered odd-numbered years.
Prereq: CHEM 324
Basic principles of quantum mechanics, schrodinger equation. Hartree-Fock/molecular orbital theory, introduction to group theory, introduction to modern methods of computational chemistry; applications include molecular structure, potential energy surfaces and their relation to chemical reactions; molecular spectroscopy, photochemistry, solvent effects and surface chemistry.