Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2010-03-09
Int. Rev. Phys. Chem. 29 (2010) 403-452
Physics
Condensed Matter
Strongly Correlated Electrons
29 pages, many figures
Scientific paper
10.1080/0144235X.2010.485755
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. In addition it provides a spectroscopic labeling by irreducible representations that is helpful when interpreting transitions induced by Electron Paramagnetic Resonance (EPR), Nuclear Magnetic Resonance (NMR) or Inelastic Neutron Scattering (INS). It is our aim to provide the reader with detailed knowledge on how to set up such a diagonalization scheme.
Schnack Juergen
Schnalle Roman
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