CHEM 7400 - Computational Chemistry I

4 credit hours

Prerequisite: Foundation courses of the Computational Science Ph.D. program (COMS 6100, COMS 6500, and CSCI 6020) or consent of instructor. Fundamental concepts and practical aspects of various electronic-structure models used in modern computational chemistry. Molecular orbital theory, ab initio and density functional methods, wave-function analyses, and geometry optimization techniques. Offered every fall. Three lectures and one three-hour computer lab.

NOTE: Graduate standing is the prerequisite for graduate courses in chemistry. The 5000-level courses also have the same prerequisites as listed for the corresponding 4000-level courses in the undergraduate catalog.

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