Fig 3.1 Spin and Orbital Effects: Errors in anapole susceptibility, A, computed by various methods in Luaug-cc-pCVTZ basis relative to MP2.
Fig 3.2 Effect of Correlation
Fig 3.3 DFT functionals and relatively cheaper wavefunction methods like Hartree-Fock and MP2 were benchmarked against coupled-cluster for properties like magnetisability and anapole susceptibilities. TPSS and KT3 functionals were found to be the best suited for describing magnetic properties.