Introduction to Computational Quantum Chemistry
Semester:
Fall
Year:
2020
Title | Time | Location | Syllabus | Instructor |
---|---|---|---|---|
Introduction to Computational Quantum Chemistry - One section offered |
Tuesday, Thursday 9:30am - 10:45am
|
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(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.