CHEM 5800: Introduction to Computational Quantum Chemistry
Credits: 3. Contact Hours: Lecture 3.
Prereq: Graduate Standing or Permission of Instructor
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. Offered odd-numbered years.
(Typically Offered: Fall)