Abstract:
This thesis, the first thesis in theoretical chemistry submitted for the degree of Master of Science at Victoria University of Wellington, has been designed to illustrate two alternative approaches to theoretical studies. The first five chapters illustrate the modern use of operator methods; the last two are concerned mainly with molecular orbital calculations for large organic molecules, using a giant high speed electronic computer. I am deeply indebted to Mr Keith Morris, of the Applied Mathematics Division, Department of Scientific and Industrial Research, for his generous and highly competent help in writing computing programs, and operating computers, at all odd hours of the day and night, for the calculations in this thesis. I would also like to thank Dr R.M. Golding, for useful discussions, and the Director, Applied Mathematics Division, Department of Scientific and Industrial Research, for making computing facilities available.
