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Recent Progress in Coupled Cluster Methods

Theory and Applications

  • Petr Cársky
  • Josef Paldus
  • Jirí Pittner

Part of the Challenges and Advances in Computational Chemistry and Physics book series (COCH, volume 11)

Table of contents

  1. Front Matter
    Pages i-xxi
  2. Rodney J. Bartlett, Monika Musiał, Victor Lotrich, Tomasz Kuś
    Pages 1-36
  3. Masahiro Ehara, Hiroshi Nakatsuji
    Pages 79-112
  4. So Hirata, Toru Shiozaki, Edward F. Valeev, Marcel Nooijen
    Pages 191-217
  5. Stanislav Kedžuch, Ondřej Demel, Jiří Pittner, Jozef Noga
    Pages 251-266
  6. Werner Kutzelnigg
    Pages 299-356
  7. Ingvar Lindgren, Sten Salomonson, Daniel Hedendahl
    Pages 357-374
  8. Prashant Uday Manohar, Kodagenahalli R. Shamasundar, Arijit Bag, Nayana Vaval, Sourav Pal
    Pages 375-393
  9. Pavel Neogrády, Michal Pitoňák, Jaroslav Granatier, Miroslav Urban
    Pages 429-454
  10. Josef Paldus, Jiří Pittner, Petr Čársky
    Pages 455-489
  11. Peter Seidler, Ove Christiansen
    Pages 491-512
  12. David P. Tew, Christof Hättig, Rafał A. Bachorz, Wim Klopper
    Pages 535-572
  13. Hans-Joachim Werner, Thomas B. Adler, Gerald Knizia, Frederick R. Manby
    Pages 573-619
  14. Shusuke Yamanaka, Satomichi Nishihara, Kazuto Nakata, Yasushige Yonezawa, Yasutaka Kitagawa, Takashi Kawakami et al.
    Pages 621-648
  15. Back Matter
    Pages 649-657

About this book

Introduction

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.

Keywords

CCSD(T) Method Coupled Cluster Theory cluster molecule quantum chemical computational methods quantum-theoretical determination

Editors and affiliations

  • Petr Cársky
    • 1
  • Josef Paldus
    • 2
  • Jirí Pittner
    • 3
  1. 1.ASCR Praha J. Heyrovsky Inst. Physical ChemistryPraha 8Czech Republic
  2. 2.Dept. Applied MathematicsUniversity of Waterloo Fac. MathematicsWaterlooCanada
  3. 3.ASCR Praha J. Heyrovsky Inst. Physical ChemistryPraha 8Czech Republic

Bibliographic information

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