This exam is to be completed individually. It is due at 10:00 AM on Friday, March 15th. The completed exam should be turned in to me, or Sheryl Frankel (245 Smith), or it can be left in my mailbox if you feel confident about security.
Please double space all responses, and use font sizes no smaller than 12. Handwritten papers will be read, but illegibility will be frowned upon.
Compare and contrast molecular mechanics, semiempirical molecular orbital theory, ab initio molecular orbital theory, and ab initio density functional theory. In particular, identify key assumptions implicit in each. Give examples of situations where one or more may be either particularly appropriate or alternatively proscribed. Assess the expected success of each with respect to prediction of such experimental observables as structure, energetics, spectra, etc. (1000 words maximum).