Modelling Magnetic Anisotropy in Molecular Magnets

Key Points

• This review aims to develop methods for calculating magnetic anisotropy constants in single molecule magnets using the exchange Hamiltonian.
• Developed computational methods for calculating magnetic anisotropy constants.
• Focused on the small anisotropy limit.
• Applied techniques starting from the exchange Hamiltonian.
• Proposed new methods for more accurate modeling of magnetic anisotropy.
• Demonstrated the applicability of these methods to single molecule magnets.

Abstract