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Irreducible tensor operator method study on molecular magnetism: A practical approach and its use for high-nuclearity magnetic cluster
Wang, Fan; Wang, Bingwu; Wang, Mingwei; Chen, Zhida
2008-03-20
Source PublicationCHEMICAL PHYSICS LETTERS
ISSN0009-2614
Volume454Issue:4-6Pages:177-183
AbstractA new practical approach to molecular magnetism was suggested. First, for the complicated magnetic exchange system with unquenched orbital angular momentum a general form of the effective Hamiltonian including an intercluster exchange interaction of the self-consistent field was introduced. On the basis of the irreducible tensor operator method the practical approach was established, and accomplished by the BJMAG package, where a new strategy to automatically search more good quantum numbers was adopted to solve further block diagonalization in the eigenvalue problem. Finally, potentiality of the approach to isotropic Heisenberg spin clusters was tested through two high-nuclearity clusters, the nonamer cluster and the Mn-7-cluster compound as representative examples. (c) 2008 Elsevier B. V. All rights reserved.
DOI10.1016/j.cplett.2008.02.018
Indexed BySCI
Language英语
WOS IDWOS:000254425200007
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/64472
Collection中国科学院化学研究所
Corresponding AuthorChen, Zhida
AffiliationPeking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Appl, Beijing 100871, Peoples R China
Recommended Citation
GB/T 7714
Wang, Fan,Wang, Bingwu,Wang, Mingwei,et al. Irreducible tensor operator method study on molecular magnetism: A practical approach and its use for high-nuclearity magnetic cluster[J]. CHEMICAL PHYSICS LETTERS,2008,454(4-6):177-183.
APA Wang, Fan,Wang, Bingwu,Wang, Mingwei,&Chen, Zhida.(2008).Irreducible tensor operator method study on molecular magnetism: A practical approach and its use for high-nuclearity magnetic cluster.CHEMICAL PHYSICS LETTERS,454(4-6),177-183.
MLA Wang, Fan,et al."Irreducible tensor operator method study on molecular magnetism: A practical approach and its use for high-nuclearity magnetic cluster".CHEMICAL PHYSICS LETTERS 454.4-6(2008):177-183.
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