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Jan 13, 2025
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CHEM 225: Molecular Electronic Structure
[3 units]
Modern theoretical methods, algorithms, and computational tools for understanding the energetics and properties of molecules. This includes molecular mechanics, semi-empirical methods, but with a focus on ab initio based approaches. Electronic structure methods such as Hartree-Fock, density functional theory, couples-cluster, and configuration interaction will be introduced.
Prerequisite: CHEM 212 . Open only to major(s): Applied Mathematics, Bio Engineering and Small Scale Technology, Chemistry and Chemical Biology, Physics, Quantitative and Systems Biology.
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