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Energy‐level diagrams of high‐spin and low‐spin molecules
Author(s) -
De Raedt H.,
Miyashita S.,
Michielsen K.
Publication year - 2004
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200304391
Subject(s) - lanczos resampling , magnetization , projector , energy (signal processing) , spin (aerodynamics) , orthogonalization , physics , condensed matter physics , chebyshev polynomials , mathematics , quantum mechanics , thermodynamics , algorithm , magnetic field , optics , mathematical analysis , eigenvalues and eigenvectors
The magnetic energy‐level diagrams for models of the Mn 12 and V 15 molecule are calculated using the Lanczos method with full orthogonalization and a Chebyshev‐polynomial‐based projector method. The effects of the Dzyaloshinskii‐Moriya interaction on the appearance of energy‐level repulsions and its relevance to the observation of steps in the time‐dependent magnetization data are studied. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)