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Recent Progress in Coupled Cluster Methods. Theorey and Applications
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SYSNO ASEP 0346314 Document Type M - Monograph Chapter R&D Document Type Monograph Chapter Title Multireference Coupled-Cluster Methods: Recent Developments Author(s) Paldus, J. (CA)
Pittner, Jiří (UFCH-W) RID, ORCID
Čársky, Petr (UFCH-W) RID, ORCIDSource Title Recent Progress in Coupled Cluster Methods. Theorey and Applications. - Dordrecht : Springer, 2010 / Čársky Petr ; Paldus J. ; Pittner Jiří - ISBN 978-90-481-2884-6 Pages s. 455-489 Number of pages 34 s. Number of pages 657 Language eng - English Country NL - Netherlands Keywords Hilbert space ; multireference coupled cluster ; Brillouin-Wigner coupled cluster Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/07/0070 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000280486600017 DOI 10.1007/978-90-481-2885-3_17 Annotation The objective of this paper is to provide an overview of various multi-reference (MR)coupled-cluster (CC) approaches, particularly those relating to our own research. Although MR CC methods have been around for almost three decades and much work has been expended on their develoment and implementation, no general purpose codes are presently available. In view of the complexity, inherent difficulties, and computational demands of both genuine valence and state universal (VU and SU) MR CC methods, attention has been directed towards the state selective os rtate specific (SS) approaches that focus on one stateat a time. These methods are based on either the genuine MR CC formalism or on a single-reference (SR) CC Ansatz, in which higher-than-pair clusters are accounted for by relying on basic ideas of general MR approaches. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2011
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