Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries

Schnalle R, Schnack J (2010)
International Reviews in Physical Chemistry 29(3): 403-452.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
Download
Es wurde kein Volltext hochgeladen. Nur Publikationsnachweis!
Abstract / Bemerkung
The determination of the energy spectra of small spin systems as for instance given by magnetic molecules is a demanding numerical problem. In this work we review numerical approaches to diagonalize the Heisenberg Hamiltonian that employ symmetries; in particular we focus on the spin-rotational symmetry SU(2) in combination with point-group symmetries. With these methods one is able to block-diagonalize the Hamiltonian and thus to treat spin systems of unprecedented size. Thermodynamic observables such as the magnetization are then easily evaluated. In addition it provides a spectroscopic labeling by irreducible representations that can be related to selection rules which can be helpful when interpreting transitions induced by electron paramagnetic resonance, nuclear magnetic resonance or inelastic neutron scattering. It is our aim to provide the reader with detailed knowledge on how to set up such a diagonalization scheme.
Stichworte
approximate diagonalization; numerically exact energy spectrum; Heisenberg model; operators; irreducible tensor
Erscheinungsjahr
2010
Zeitschriftentitel
International Reviews in Physical Chemistry
Band
29
Ausgabe
3
Seite(n)
403-452
ISSN
0144-235X
eISSN
1366-591X
Page URI
https://pub.uni-bielefeld.de/record/1794934

Zitieren

Schnalle R, Schnack J. Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries. International Reviews in Physical Chemistry. 2010;29(3):403-452.
Schnalle, R., & Schnack, J. (2010). Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries. International Reviews in Physical Chemistry, 29(3), 403-452. doi:10.1080/0144235X.2010.485755
Schnalle, R., and Schnack, J. (2010). Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries. International Reviews in Physical Chemistry 29, 403-452.
Schnalle, R., & Schnack, J., 2010. Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries. International Reviews in Physical Chemistry, 29(3), p 403-452.
R. Schnalle and J. Schnack, “Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries”, International Reviews in Physical Chemistry, vol. 29, 2010, pp. 403-452.
Schnalle, R., Schnack, J.: Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries. International Reviews in Physical Chemistry. 29, 403-452 (2010).
Schnalle, Roman, and Schnack, Jürgen. “Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries”. International Reviews in Physical Chemistry 29.3 (2010): 403-452.

Export

Markieren/ Markierung löschen
Markierte Publikationen

Open Data PUB

Web of Science

Dieser Datensatz im Web of Science®

Quellen

arXiv: 1003.1909

Suchen in

Google Scholar