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Academic Year 2003/2004
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
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.
MAJOR READINGS
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.
COURSE FORMAT:
Lecture
REGISTRATION INFORMATION
Level:
UGRD
Credit:
.5
Gen Ed Area Dept:
NSM CHEM
Grading Mode:
Graded
Prerequisites:
CHEM337 OR PHYS214 OR PHYS315
SECTION 01
- Instructor(s): Petersson,George A.
- Times: .M.W.F. 11:00AM-11:50AM; ...W... 02:30PM-05:30PM; Location: HALL56
- Reserved Seats: (Total Limit: UNL)
Special Attributes:
Links to Web Resources For This Course.
Last Updated on MAR-19-2004
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