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rsky, Petr Č á

Recent Progress in Coupled Cluster Methods

rsky, Petr Č á - Recent Progress in Coupled Cluster Methods, ebook

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ISBN: 9789048128853
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Table of contents

1. The Yearn to be Hermitian
Rodney J. Bartlett, Monika Musiał , Victor Lotrich, Tomasz Kuś

2. Reduced-Scaling Coupled-Cluster Theory for Response Properties of Large Molecules
T. Daniel Crawford

3. 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, Debashis Mukherjee

4. Development Of Sac-Ci General-R Method For Theoretical Fine Spectroscopy
Masahiro Ehara, Hiroshi Nakatsuji

5. Relativistic Four-Component Multireference Coupled Cluster Methods: Towards A Covariant Approach
Ephraim Eliav, Uzi Kaldor

6. Block Correlated Coupled Cluster Theory With A Complete Active-Space Self-Consistent-Field Reference Function: The General Formalism And Applications
Tao Fang, Jun Shen, Shuhua Li

7. A Possibility For a Multi-Reference Coupled-Cluster: The MrexpT Ansatz
Michael Hanrath

8. Eclectic Electron-Correlation Methods
So Hirata, Toru Shiozaki, Edward F. Valeev, Marcel Nooijen

9. Electronic Excited States in the State-Specific Multireference Coupled Cluster Theory with a Complete-Active-Space Reference
Vladimir V. Ivanov, Dmitry I. Lyakh, Ludwik Adamowicz

10. Multireference R12 Coupled Cluster Theory
Stanislav Kedž uch, Ondř ej Demel, Jiř í Pittner, Jozef Noga

11. Coupled Cluster Treatment Of Intramonomer Correlation Effects In Intermolecular Interactions
Tatiana Korona

12. Unconventional Aspects of Coupled-Cluster Theory
Werner Kutzelnigg

13. Coupled Clusters and Quantum Electrodynamics
Ingvar Lindgren, Sten Salomonson, Daniel Hedendahl

14. 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, Sourav Pal

15. Intermediate Hamiltonian Formulations of the Fock-Space Coupled-Cluster Method: Details, Comparisons, Examples
Leszek Meissner, Monika Musiał

16. Coupled Cluster Calculations: Ovos as an Alternative Avenue Towards Treating Still Larger Molecules
Pavel Neográ dy, Michal Pitoň á k, Jaroslav Granatier, Miroslav Urban

17. Multireference Coupled-Cluster Methods: Recent Developments
Josef Paldus, Jiř í Pittner, Petr Č á rsky

18. Vibrational Coupled Cluster Theory
Peter Seidler, Ove Christiansen

19. On The Coupled-Cluster Equations. Stability Analysis And Nonstandard Correction Schemes
Pé ter R. Surjá n, Á Agnes Szabados

20. Explicitly Correlated Coupled-Cluster Theory
David P. Tew, Christof Hä ttig, Rafał A. Bachorz, Wim Klopper

21. Efficient Explicitly Correlated Coupled-Cluster Approximations
Hans-Joachim Werner, Thomas B. Adler, Gerald Knizia, Frederick R. Manby

22. 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, Kizashi Yamaguchi

Keywords: Chemistry, Theoretical and Computational Chemistry

Author(s)
 
 
Publisher
Springer
Publication year
2010
Language
en
Edition
1
Series
Challenges and Advances in Computational Chemistry and Physics
Page amount
678 pages
Category
Natural Sciences
Format
Ebook
eISBN (PDF)
9789048128853

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