Počet záznamů: 1
Recent Progress in Coupled Cluster Methods. Theorey and Applications
- 1.
SYSNO ASEP 0346314 Druh ASEP M - Kapitola v monografii Zařazení RIV C - Kapitola v knize Název Multireference Coupled-Cluster Methods: Recent Developments Tvůrce(i) Paldus, J. (CA)
Pittner, Jiří (UFCH-W) RID, ORCID
Čársky, Petr (UFCH-W) RID, ORCIDZdroj.dok. Recent Progress in Coupled Cluster Methods. Theorey and Applications. - Dordrecht : Springer, 2010 / Čársky Petr ; Paldus J. ; Pittner Jiří - ISBN 978-90-481-2884-6 Rozsah stran s. 455-489 Poč.str. 34 s. Poč.str.knihy 657 Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova Hilbert space ; multireference coupled cluster ; Brillouin-Wigner coupled cluster Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP GA203/07/0070 GA ČR - Grantová agentura ČR CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000280486600017 DOI 10.1007/978-90-481-2885-3_17 Anotace 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. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2011
Počet záznamů: 1