Molecular Crystals and Liquid Crystals, Vol.379, 525-530, 2002
Theoretical studies on magnetic interactions of aligned tetrametal systems by using magnetic effective density functional (MEDF) method
Magnetic interactions between divalent chromium (Cr(II)) ions in tetra Cr(II) complex were estimated by using a magnetic effective density functional (MEDF) method. Those results were discussed in comparison with a di-Cr(II) complex to elucidate the types of magnetic interactions. Charge and spin densities and natural orbitals by MEDF were also examined in terms of the ligand effects.
Keywords:aligned tetrametal systems;magnetic interaction;effective exchange integrals;Magnetic Effective Density Functional;MEDF