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Academic Year 2005/2006
Physical Chemistry IVB: Quantum Chemistry
CHEM 341 FA
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
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.
QUANTUM CHEMISTRY, Levine, 5th edition, Prentice Hall
EXPLORING CHEMISTRY, Foresman & Frisch, Gaussian Inc.
EXAMINATIONS AND ASSIGNMENTS
In-class oral final exam.
Weekly problem set using computers.
ADDITIONAL REQUIREMENTS and/or COMMENTS
This half-credit course will be given the SECOND HALF OF THE SEMESTER. It will run concurrently with CHEM 340. Recommended: Linear Algebra.
Gen Ed Area Dept:
CHEM337 OR PHYS214 OR [PHYS315 or PHYS515]
Links to Web Resources For This Course.
- Instructor(s): Petersson,George A.
- Times: .M.W.F. 11:00AM-11:50AM; ...W... 02:30PM-05:30PM; Location: HALL56; SCIE74;
- Reserved Seats: (Total Limit: UNL)
Last Updated on MAR-30-2006
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