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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 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: Laboratory

REGISTRATION INFORMATION

Level: UGRD    Credit: .5    Gen Ed Area Dept: NSM CHEM    Grading Mode: Graded   

Prerequisites: CHEM337 OR PHYS214 OR [PHYS315 or PHYS515]

SECTION 01

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)

Special Attributes:
Links to Web Resources For This Course.

Last Updated on MAR-30-2006


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