ABSTRACT

A force eld (FF) is the potential energy function and the collection of parameters that have been optimized for use in that potential energy function. The function and parameters are used together to evaluate the potential energies

CONTENTS

2.1 Potential Energy Function ..........................................................................45 2.1.1 Functional Form of the Potential Energy Function ....................45 2.1.2 Extensions to the Classical Potential Energy Function ..............48