Recent Progress in Coupled Cluster Methods: Theory and Applications by Petr CárskyRecent Progress in Coupled Cluster Methods: Theory and Applications by Petr Cársky

Recent Progress in Coupled Cluster Methods: Theory and Applications

byPetr CárskyEditorJosef Paldus, Jir Pittner

Paperback | September 8, 2012

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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."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 book 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.
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: ...
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Title:Recent Progress in Coupled Cluster Methods: Theory and ApplicationsFormat:PaperbackDimensions:657 pages, 23.5 × 15.5 × 0.1 inPublished:September 8, 2012Publisher:Springer-Verlag/Sci-Tech/TradeLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:9400732759

ISBN - 13:9789400732759

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Table of Contents

The Yearn to be Hermitian (Rodney J. Bartlett, Monika Musial, Victor Lotrich, and Tomasz Kus).- Reduced-Scaling Coupled-Cluster Theory for Response Properties of Large Molecules (T. Daniel Crawford).- Development and Applications of Non-perturbative Approximants to the State-Specific Multi-reference Coupled Cluster Theory: The Two Distinct Variants (Sanghamitra Das, Shubhrodeep Pathak, Rahul Maitra and Debashis Mukherjee).- Development of SAC-CI general-R method for Theoretical Fine Spectroscopy (Masahiro Ehara and Hiroshi Nakatsuji).- Relativistic four-component multireference coupled cluster methods (Ephraim Eliav and Uzi Kaldor).- Block Correlated Coupled Cluster Theory with a Complete Active-Space Self-Consistent-Field Reference Function: The General Formalism and Applications (Tao Fang, Jun Shen, and Shuhua Li).- A Possibility for a Multi-Reference Coupled-Cluster: the MRexpT Ansatz (Michael Hanrath).- Eclectic Electron-Correlation Methods (So Hirata, Toru Shiozaki, Edward F. Valeev, and Marcel Nooijen).- Electronic Excited States in the State-Specific Multireference Coupled Cluster Theory with a Complete-Active-Space Reference. (Vladimir V. Ivanov, Dmitry I. Lyakh and Ludwik Adamowicz).- Multireference R12 Coupled Cluster Theory. (Stanislav Kedzuch, Ondrej Demel, Jirí Pittner and Jozef Noga.- Coupled cluster treatment of intramonomer correlation effects in intermolecular interactions (Tatiana Korona).- Unconventional Aspects of Coupled-Cluster Theory (Werner Kutzelnigg).- Coupled clusters and quantum electrodynamics (Ingvar Lindgren, Sten Salomonson, and Daniel Hedendahl).- On some aspects of Fock-space multi-reference coupled-cluster singles and doubles energies and optical properties (Prashant Uday Manohar, Kodagenahalli R. Shamasundar, Arijit Bag, Nayana Vaval, and Sourav Pal).- Intermediate Hamiltonian formulations of the Fock-space coupled-clustermethod: details, comparisons, examples (Leszek Meissner and Monika Musial).- Coupled cluster calculations: OVOS as an alternative avenue towards treating still larger molecules (Pavel Neogrády, Michal Pitonák, Jaroslav Granatier and Miroslav Urban).- Multireference Coupled-Cluster Methods: Recent Developments (Josef Paldus, Jirí Pittner, and Petr Cársky).- Vibrational Coupled Cluster Theory (Peter Seidler and Ove Christiansen).- On the coupled-cluster equations. Stability analysis and nonstandard correction schemes (Péter R. Surján and Ágnes Szabados).- Explicitly correlated coupled-cluster theory (David P. Tew and Christof Hättig and Rafal A. Bachorz and Wim Klopper).- Efficient explicitly correlated coupled-cluster approximations (Hans-Joachim Werner, Thomas B. Adler, Gerald Knizia and Frederick R. Manby).- Instability in Chemical Bonds: UNO CASCC, Resonating UCC and Approximately Projected UCC Methods to Quasi-degenerate Electronic Systems. (Shusuke Yamanaka, Satomichi Nishihara, Kazuto Nakata, Yasushige Yonezawa, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura, Toshikazu Takada, Haruki Nakamura, and Kizashi Yamaguchi).