Computationally inexpensive interpretation of magnetic data for finite spin clusters

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Standard

Computationally inexpensive interpretation of magnetic data for finite spin clusters. / Thuesen, Christian Aagaard; Weihe, Høgni; Bendix, Jesper; Piligkos, Stergios; Mønsted, Ole.

I: Dalton Transactions (Print Edition), Bind 39, Nr. 20, 2010, s. 4882-5.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Thuesen, CA, Weihe, H, Bendix, J, Piligkos, S & Mønsted, O 2010, 'Computationally inexpensive interpretation of magnetic data for finite spin clusters', Dalton Transactions (Print Edition), bind 39, nr. 20, s. 4882-5. https://doi.org/10.1039/b925254a

APA

Thuesen, C. A., Weihe, H., Bendix, J., Piligkos, S., & Mønsted, O. (2010). Computationally inexpensive interpretation of magnetic data for finite spin clusters. Dalton Transactions (Print Edition), 39(20), 4882-5. https://doi.org/10.1039/b925254a

Vancouver

Thuesen CA, Weihe H, Bendix J, Piligkos S, Mønsted O. Computationally inexpensive interpretation of magnetic data for finite spin clusters. Dalton Transactions (Print Edition). 2010;39(20):4882-5. https://doi.org/10.1039/b925254a

Author

Thuesen, Christian Aagaard ; Weihe, Høgni ; Bendix, Jesper ; Piligkos, Stergios ; Mønsted, Ole. / Computationally inexpensive interpretation of magnetic data for finite spin clusters. I: Dalton Transactions (Print Edition). 2010 ; Bind 39, Nr. 20. s. 4882-5.

Bibtex

@article{ee1e23c0828811df928f000ea68e967b,
title = "Computationally inexpensive interpretation of magnetic data for finite spin clusters",
abstract = "We show that high-temperature expansion of the partition function is a computationally convenient tool to interpretation of magnetic properties of spin clusters wherein the spin centers are interacting via an isotropic Heisenberg exchange operator. High-temperature expansions up to order 12 are used to reproduce temperature dependent magnetic susceptibilities of a Cr(iii) tetramer, a decanuclear Fe(iii) wheel, a 3x3 grid arrangement of nine Mn(ii) ions, and a dodecanuclear Ni(ii) wheel. Excellent agreement with experiments as well as with results from computationally more elaborate methods is achieved.",
author = "Thuesen, {Christian Aagaard} and H{\o}gni Weihe and Jesper Bendix and Stergios Piligkos and Ole M{\o}nsted",
year = "2010",
doi = "10.1039/b925254a",
language = "English",
volume = "39",
pages = "4882--5",
journal = "Acta chemica Scandinavica. Series A: Physical and inorganic chemistry",
issn = "1477-9226",
publisher = "Royal Society of Chemistry",
number = "20",

}

RIS

TY - JOUR

T1 - Computationally inexpensive interpretation of magnetic data for finite spin clusters

AU - Thuesen, Christian Aagaard

AU - Weihe, Høgni

AU - Bendix, Jesper

AU - Piligkos, Stergios

AU - Mønsted, Ole

PY - 2010

Y1 - 2010

N2 - We show that high-temperature expansion of the partition function is a computationally convenient tool to interpretation of magnetic properties of spin clusters wherein the spin centers are interacting via an isotropic Heisenberg exchange operator. High-temperature expansions up to order 12 are used to reproduce temperature dependent magnetic susceptibilities of a Cr(iii) tetramer, a decanuclear Fe(iii) wheel, a 3x3 grid arrangement of nine Mn(ii) ions, and a dodecanuclear Ni(ii) wheel. Excellent agreement with experiments as well as with results from computationally more elaborate methods is achieved.

AB - We show that high-temperature expansion of the partition function is a computationally convenient tool to interpretation of magnetic properties of spin clusters wherein the spin centers are interacting via an isotropic Heisenberg exchange operator. High-temperature expansions up to order 12 are used to reproduce temperature dependent magnetic susceptibilities of a Cr(iii) tetramer, a decanuclear Fe(iii) wheel, a 3x3 grid arrangement of nine Mn(ii) ions, and a dodecanuclear Ni(ii) wheel. Excellent agreement with experiments as well as with results from computationally more elaborate methods is achieved.

U2 - 10.1039/b925254a

DO - 10.1039/b925254a

M3 - Journal article

C2 - 20411201

VL - 39

SP - 4882

EP - 4885

JO - Acta chemica Scandinavica. Series A: Physical and inorganic chemistry

JF - Acta chemica Scandinavica. Series A: Physical and inorganic chemistry

SN - 1477-9226

IS - 20

ER -

ID: 20542970