Zero-field splitting in transition metal complexes: Ab initio calculations, effective Hamiltonians, model Hamiltonians, and crystal-field models

Rémi Maurice (1) , R. Broer (2) , Nathalie Guihéry (3) , C. de Graaf (4)

1 SUBATECH - Laboratoire SUBATECH Nantes
2 Zernike Institute for Advanced Materials
3 SEM - Systèmes étendus et magnétisme (LCPQ)
4 Universitat Rovira i Virgili

Domaines: Chimie théorique et/ou physique

Rémi Maurice, R. Broer, Nathalie Guihéry, C. de Graaf. Zero-field splitting in transition metal complexes: Ab initio calculations, effective Hamiltonians, model Hamiltonians, and crystal-field models. Hanbook of Relativistic Quantum Chemistry, 2016, 978-3-642-41611-8. ⟨10.1007/978-3-642-41611-8_37-1⟩. ⟨in2p3-01323359⟩