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Academic Year 2001/2002
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
EXPLORING CHEMISTRY WITH ELECTRONIC STRUCTURE METHODS, by James B. Foresman and Aeleen Frisch, 2nd edition, Gaussian Inc., Pittsburgh (1996).
EXAMINATIONS AND ASSIGNMENTS
Graded weekly problem sets done on UNIX workstations plus an oral final examination presenting a paper from the recent literature.
ADDITIONAL REQUIREMENTS and/or COMMENTS
This half-credit course will be given the SECOND HALF OF THE SEMESTER. It will run concurrently with CHEM340. 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)
- SR. major: Jr. major:
- SR. non-major: Jr. non-major: SO: FR:
Special Attributes:
- Curricular Renewal: Quantitative Reasoning
Links to Web Resources For This Course.
Last Updated on MAR-19-2002
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