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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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