Magnetostructural Dependencies in 3d2 Systems: The Trigonal Bipyramidal V3+ Complex

@article{Georgiev2022MagnetostructuralDI,
  title={Magnetostructural Dependencies in 3d2 Systems: The Trigonal Bipyramidal V3+ Complex},
  author={Miroslav Georgiev and Hassan Chamati},
  journal={physica status solidi (b)},
  year={2022},
  volume={259}
}
We introduce a multiconfigurational approach to study the magnetostructural correlations in 3d2 systems. The theoretical framework represents a restricted active space self‐consistent field method, with active space optimized to the number of all non‐bonding orbitals. To demonstrate the validity and effectiveness of the method, we explore the physical properties of the trigonal bipyramidal spin‐one single‐ion magnet (C6F5)3trenVCNtBu . The obtained theoretical results show good agreement with… 

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