Challenges and Advances in Computational Chemistry and Physics

Recent Progress in Coupled Cluster Methods

Theory and Applications

Editors: Cársky, Petr, Paldus, Josef, Pittner, Jirí (Eds.)

  • A powerful reference for those researchers who actively participate in the development of quantum chemical computational methods
  • Provides a rigorous and yet accessible treatment of CCT to all types of users of quantum chemical software of computational chemistry and physics, material science, nanotechnology, and drug design
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Softcover $499.00
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  • ISBN 978-94-007-3275-9
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About this book

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 disciplines ranging from astrophysics to pharmacology.

The knowledge of various chemical and physical properties (such as dipole or quadrupole moments, ionization potentials or electron affinities, excitation energies, polarizabilities and hyperpolarizabilities, potential energy and property surfaces, etc.) is essential for an understanding of many basic processes and, ultimately, for the development and design of practical devices and techniques based on such phenomena. The key to all such computations is the efficient and size-extensive handling of many-electron correlation effects, which represents a particularly strong aspect of coupled cluster methods.

Recent Progress in Coupled Cluster Methods provides an excellent overview of status quo and future trends in coupled cluster methodology which will enable both researchers and students to become acquainted with recent progress in this area of continuing intense activity. Each of the 22 chapters has been prepared by eminent practitioners in this field of endeavor and emphasizes the fundamental aspects as well as related methodology.

This volume provides a useful source of reference for both researchers in chemistry, molecular physics and molecular biology and practitioners working in these fields. It is also recommendable to people using related software packages.

About the authors

P. Cársky is a Senior Scientist at the Heyrovský Institute and external professor at the Charles University

J. Paldus is a Distinguished Professor Emeritus at the University of Waterloo, Canada

J. Pittner is the Head of the Department of Theoretical Chemistry at the Heyrovský Institute

P. Cársky was a coauthor of the following books:

R. Zahradník, P. Cársky: Organic Quantum Chemistry Problems. Plenum Press, New York 1973, 222 p.

New editions:

Hirokawa Publishing Company, Tokyo, 1979 (in Japanese), SNTL, Praha 1978 (in Czech).

R. Zahradník, P. Cársky: Sbírka úloh z aplikací kvantové chemie. Statní pedagogické nakladatelství, Praha 1967, 174 p (in Czech).

P. Hobza, P. Cársky, J. Pancír, R. Zahradník: Výklad k programum pro kvantove chemické výpocty. Státní pedagogické nakladatelství, Praha 1972, 140 p (in Czech).

P. Cársky, J. Pancír, R. Zahradník: Molekulové orbitaly v chemii. Academia, Praha 1974, 140 p (in Czech).

P. Cársky, M. Urban: Ab Initio Calculations. Methods and Applications in Chemistry. Lecture Notes in Chemistry, Vol. 18. Springer-Verlag, Berlin 1980, 247 p.

Czech edition: Ab initio výpocty v chemii. SNTL, Praha 1985, 279 p. J. Paldus contributed numerous Chapters to various monographs and is currently on several Editorial Boards (in particular for a book series "Advances in Quantum Chemistry" published by Academic Press).

Table of contents (22 chapters)

  • The Yearn to be Hermitian

    Bartlett, Rodney J. (et al.)

    Pages 1-36

  • Reduced-Scaling Coupled-Cluster Theory for Response Properties of Large Molecules

    Crawford, T. Daniel

    Pages 37-55

  • Development And Applications Of Non-Perturbative Approximants To The State-Specific Multi-Reference Coupled Cluster Theory: The Two Distinct Variants

    Das, Sanghamitra (et al.)

    Pages 57-77

  • Development Of Sac-Ci General-R Method For Theoretical Fine Spectroscopy

    Ehara, Masahiro (et al.)

    Pages 79-112

  • Relativistic Four-Component Multireference Coupled Cluster Methods: Towards A Covariant Approach

    Eliav, Ephraim (et al.)

    Pages 113-144

Buy this book

eBook $389.00
price for USA (gross)
  • ISBN 978-90-481-2885-3
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $499.00
price for USA
  • ISBN 978-90-481-2884-6
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $499.00
price for USA
  • ISBN 978-94-007-3275-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Recent Progress in Coupled Cluster Methods
Book Subtitle
Theory and Applications
Editors
  • Petr Cársky
  • Josef Paldus
  • Jirí Pittner
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
11
Copyright
2010
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
eBook ISBN
978-90-481-2885-3
DOI
10.1007/978-90-481-2885-3
Hardcover ISBN
978-90-481-2884-6
Softcover ISBN
978-94-007-3275-9
Series ISSN
2542-4491
Edition Number
1
Number of Pages
XXI, 657
Number of Illustrations and Tables
116 b/w illustrations
Topics