Application of Parallel Computing in the Transfer-Matrix Simulations of the Supramolecular Rings
作者： Ryszard Matysiak , Monika Haglauer , Grzegorz Kamieniarz , Alvaro Caramico D’Auria , Filippo Esposito
DOI: 10.1007/978-3-540-24669-5_62
关键词:
摘要: Numerical transfer-matrix approach and exact diagonalization technique exploiting the point-group symmetry properties of shift operator are worked out in framework quantum statistical mechanics. They applied, using Heisenberg spin Hamiltonian large-scale simulations based on parallel algorithm Message Parallel Interface (MPI) system library, to supramolecular rings describing some Mn Ni clusters ([Mn(hfac)2NITPh]6 Ni12 (O2CMe)12(chp)12(H2O)6(THF)6, respectively). For complex energy level structure is analyzed as a function anisotropy where for cluster in-field magnetization profile calculated.
springer.com
sci-hub.st 参考文章(9)
Barr E. Bauer, Parallel Program Development Practical Parallel Programming. pp. 411- 423 ,(1992) , 10.1016/B978-0-12-082810-4.50031-5
Barr E. Bauer, Practical parallel programming ,(1992)
Eric F. Van de Velde, Concurrent Scientific Computing ,(1994)
G. Kamieniarz, R. Matysiak, A. Caramico D'Auria, F. Esposito, C. Benelli, Finite-temperature characterization and simulations of the molecular assemblies Mn6 and Ni12 European Physical Journal B. ,vol. 23, pp. 183- 189 ,(2001) , 10.1007/S100510170067
G.V. Wilson, Practical parallel programming IEEE Concurrency. ,vol. 7, pp. 91- 91 ,(1999) , 10.1109/MCC.1999.806991
Dante Gatteschi, Roberta Sessoli, Andrea Cornia, Single-molecule magnets based on iron(III)oxo clusters Chemical Communications. pp. 725- 732 ,(2000) , 10.1039/A908254I
D. Gatteschi, A. Caneschi, L. Pardi, R. Sessoli, Large clusters of metal ions: The transition from molecular to bulk magnets Science. ,vol. 265, pp. 1054- 1058 ,(1994) , 10.1126/SCIENCE.265.5175.1054
R. Matysiak, G. Kamieniarz, P. Gegenwart, H. Aoki, A. Ochiai, F. Steglich, The semimetallic S = 1/2 antiferromagnetic chain Yb4As3: quantum transfer‐matrix simulations and experimental field‐dependent specific‐heat data Physica Status Solidi B-basic Solid State Physics. ,vol. 237, pp. 549- 552 ,(2003) , 10.1002/PSSB.200301748
Jacek Błażewicz, Janusz Kaczmarek, Marta Kasprzak, Jan Węglarz, Sequential algorithms for DNA sequencing computational methods in science and technology. ,vol. 1, pp. 31- 42 ,(1996) , 10.12921/CMST.1996.01.01.31-42