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CHEM341
Physical Chemistry IVB: Quantum Chemistry
CHEM341 SP
| Section | Class Size | *Available | Times |
|---|
| 1 | 21 | 19 | Times: M.W.F.. 11:00AM-11:50AM; |
*The number of spaces listed as available is based on class seats open for
the current phase of registration. Some seats may be taken in previous
phases while others may be held out for subsequent phases of registration.
(Last Updated on Wed Mar 4 05:00:40 EST 1998
)
A survey of ab initio electronic structure theory including:
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: UG Credit: 0.50
Gen Ed Area & Dept: NSM CHEM
Prerequisites:
CHEM337 or PHYS214 or PHYS315
- Section 01
- Petersson, G
- Times: M.W.F.. 11:00AM-11:50AM;
- Grading Mode: A/F
- Registration Preference (1 high to 6 low, 0=Excluded) Sr: 1, Jr: 2, So: 0, Fr: 0
- Major Preference Given
Last Updated on MAR-03-1998
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