Radiation Induced Molecular Phenomena in Nucleic Acids.pdf

CHALLENGES AND ADVANCES IN
COMPUTATIONAL CHEMISTRY AND PHYSICS
Volume 5
Series Editor:
JERZY LESZCZYNSKI
Department of Chemistry, Jackson State University, .
The titles published in this series are listed at the end of this volume
Radiation Induced
Molecular Phenomena
in Nucleic Acids
prehensive Theoretical
and Experimental Analysis
Edited by
Manoj K. Shukla and Jerzy Leszczynski
Jackson State University,
Jackson, MS, .
Editors
Manoj K. Shukla Jerzy Leszczynski
Jackson State University Jackson State University
Department of Chemistry Department of Chemistry
1325 J. R. Lynch Street 1325 J. R. Lynch Street
Jackson MS 39217 Jackson MS 39217
USA USA
ISBN: 978-1-4020-8183-5 e-ISBN: 978-1-4020-8184-2
Library of Congress Control Number: 2007942594
© 2008 Springer Science+Business Media .
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987654321
CONTENTS
Preface ix
1 Radiation Induced Molecular Phenomena in Nucleic Acids:
A Brief Introduction 1
Manoj K. Shukla and Jerzy Leszczynski
2 Single-Reference Methods for Excited States in Molecules
and Polymers 15
So Hirata, Peng-Dong Fan, Toru Shiozaki, and Yasuteru Shigeta
3 An Introduction to Equation-of-Motion and Linear-Response
Coupled-Cluster Methods for Electronically Excited States
of Molecules 65
John D. Watts
4 Exploring Photobiology and Biospectroscopy with the SAC-CI
(Symmetry-Adapted Cluster-Configuration Interaction) Method 93
Jun-ya Hasegawa and Hiroshi Nakatsuji
5 Multiconfigurational Quantum Chemistry for Ground
and Excited States 125
Björn O. Roos
6 Relativisti