Energy‐level diagrams of high‐spin and low‐spin molecules | Zendy

De Raedt H. | Zendy; Miyashita S. | Zendy; Michielsen K. | Zendy

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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)

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