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This survey of ab initio electronic structure theory studies basis sets, many-body perturbation theory, coupled cluster theory, and density functional methods. These methods will be applied to molecular geometry optimizations, calculations of vibrational frequencies, NMR spectra, and thermochemistry including transition states for chemical reactions. The thermochemical methods covered include the complete basis set (CBS) models.
COURSE FORMAT: Lecture
Level: UGRD Credit: .5 Gen Ed Area Dept: NSM CHEM Grading Mode: Graded
Prerequisites: CHEM337 OR PHYS214 OR PHYS315 Links to Web Resources For This Course.
Last Updated on MAR-26-2001
Copyright Wesleyan University, Middletown, Connecticut, 06459