CHEM341

[WesMaps 98/99 Home Page] [Course Search] [Course Search by CID]

CHEM341

Physical Chemistry IVB: Quantum Chemistry CHEM341 SP

Not Currently Offered

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: UG Credit: 0.50 Gen Ed Area & Dept: NSM CHEM

Prerequisites: CHEM337 or PHYS214 or PHYS315

Last Updated on MAR-22-1999

Contact wesmaps@wesleyan.edu to submit comments or suggestions.