Recent Progress in Coupled Cluster Methods Theory and Applications
The coupled cluster method represents one of the most successful and often used approaches to a quantum-theoretical determination of atomic, molecular, and solid state electronic structure and properties. These methods are relevant to a broad spectrum of
- PDF / 651,782 Bytes
- 21 Pages / 439.37 x 666.142 pts Page_size
- 6 Downloads / 218 Views
CHALLENGES AND ADVANCES IN COMPUTATIONAL CHEMISTRY AND PHYSICS Volume 11
Series Editor:
JERZY LESZCZYNSKI Department of Chemistry, Jackson State University, U.S.A.
For further volumes: http://www.springer.com/series/6918
Recent Progress in Coupled Cluster Methods Theory and Applications
Edited by
ˇ Petr Cársky J. Heyrovský Institute of Physical Chemistry v.v.i., Prague, Czech Republic
Josef Paldus University of Waterloo, ON, Canada
and Jiˇrí Pittner J. Heyrovský Institute of Physical Chemistry v.v.i., Prague, Czech Republic
123
Editors ˇ Prof. Dr. Petr Cársky ASCR Praha J. Heyrovský Inst. Physical Chemistry Dolejškova 3 182 23 Praha 8 Czech Republic [email protected]
Prof. Josef Paldus University of Waterloo Fac. Mathematics Dept. Applied Mathematics 200 University Avenue W. Waterloo ON N2L 3G1 Canada [email protected]
Dr. Jiˇrí Pittner ASCR Praha J. Heyrovský Inst. Physical Chemistry Dolejškova 3 182 23 Praha 8 Czech Republic [email protected]
ISBN 978-90-481-2884-6 e-ISBN 978-90-481-2885-3 DOI 10.1007/978-90-481-2885-3 Springer Dordrecht Heidelberg London New York Library of Congress Control Number: 2010926693 © Springer Science+Business Media B.V. 2010 No part of this work may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, electronic, mechanical, photocopying, microfilming, recording or otherwise, without written permission from the Publisher, with the exception of any material supplied specifically for the purpose of being entered and executed on a computer system, for exclusive use by the purchaser of the work. Printed on acid-free paper Springer is part of Springer Science+Business Media (www.springer.com)
FOREWORD
I feel very honored that I have been asked to write a Foreword to this book. The subject of the book – “Coupled cluster theory” – has been around for about half a century. The basic theory and explicit equations for closed-shell ground states were formulated before 1970. At the beginning of the seventies the first ab initio calculation were carried out. At that time speed and memory of computers were very limited compared to today’s standards. Moreover, the size of one-electron bases employed was small, so that it was only possible to achieve an orientation in methodical aspects rather than to generate new significant results. Extensive use of the coupled-cluster method started at the beginning of the eighties. With the help of more powerful computers the results of coupled-cluster approaches started to yield more and more interesting results of relevance to the interpretation of experimental data. New ideas in methodology kept appearing and computer codes became more and more efficient. This exciting situation continues to this very day. Remarkably enough, even the required equations can now be generated by a computer with the help of symbolic languages. The size of this monograph and the rich variety of articles it contains attests to the usefulness and viability of the couple-cluster formalism for the han
Data Loading...
