Next: Declaration Up: Publications

Novel Methods for Large Molecules in Quantum Chemistry

Ross David Adamson

$\scalebox{0.37}[0.37]{\epsffile{CU.ross.epsf}}$

A thesis submitted to the University of Cambridge
for the degree of Doctor of Philosophy

Date: Trinity College January 27, 1999

Declaration
Acknowledgements
Abstract
List of Publications
Contents
Introduction
Density Functional Theory
Density Functional Partitions^9.2
Empirical Density Functionals^11.2
Faster Integral Calculation
The CASE Approximation
Efficient Short-Range Integrals
Coulomb-Attenuated Exchange Energy Density Functionals^20.2
A Family of Attenuated Coulomb Operators
Effects of Coulomb Attenuation on Chemical Properties
Reintroducing the Background^26.2
Concluding Remarks
Bibliography
About this document ...

Ross D. Adamson
1999-01-27