Jul 23, 2018
CHEM 581 - Quantum and Computational Chemistry
A 3-credit lecture course including quantum mechanical descriptions of translation, rotation, and vibration of microscopic particles, electronic structures of atoms and molecules, Hartree-Fock (HF) and post-HF theories and their applications in the computation of physical and chemical properties of studied matters. Course will not have an established scheduling pattern.
Prerequisite: CHEM 383.
Upon successful completion of this course, the student will be able to:
Learner Outcomes Approval Date:
- Apply quantum mechanical theory to describe and analyze translation, rotation, and vibration of microscopic particles.
- Apply quantum mechanical theory to describe and analyze electronic structures of atoms and molecules.
- Describe the principles and algorithms in the Hartree-Fock (HF) and post-HF theories.
- Use computational chemistry software programs widely used in academia and/or industry.
- Demonstrate knowledge of the recent progress in a selected area of computational chemistry.
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