Chapter 9, Problem 9E.5DQ

Interpretation Introduction

Interpretation:

The principal distinguishing features of semi-empirical, ab initio, and density functional theory methods of electronic structure determination have to be stated.

Concept introduction:

The Huckel method involves many complex calculations to determine the shapes and energies if molecular orbitals.  It involves many different computational methods.  These various methods help in avoiding several assumptions of this method.  These methods also help in predicting the structure and reactivity of the molecules.