Quantum Chemistry Introductory Material

Overview & Synopsis

This introductory note
provides a sound basis in quantum chemical theory. It is structured by a brief
overview of basic concepts, followed by close scrutiny of the GAMESS
computational chemistry package and its applications. The note provides a
starting point for the theory behind calculations performed in quantum chemical
chemistry; it can be suitable for those new to computational chemistry or for
students looking to get a foot in the door as regards practical tools for
molecular simulation.