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Apr 19, 2024
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2019-2020 Undergraduate Catalog [ARCHIVED CATALOG]
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CHEM 400 - Computational Chemistry
Credit Hours: 3
Lecture Hours: 2
Lab Hours: 2
This class introduces students to different computational methods and models to study electronic structure of molecules and materials. The topics that will be covered include Hartree-Fock, density functional theory, Moller-Plesset perturbation theory, coupled cluster and semi-empirical methods such as Huckel and expended Huckel calculations. The laboratory activities include computational experiments to illustrate the applicability of computational methods to chemistry, bio-sciences, and materials chemistry. These experiments will be carried out on Linux and UNIX-based workstations.
Prerequisite: CHEM 225 and CHEM 225L and CHEM 314
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