Opis stanowiska
· Further development of computer package for analysis of low symmetry aspects in the zero field splitting parameter (ZFSP) sets or crystal field parameter (CFP) sets for the 3d/4f ions in crystals and molecules.
· Carrying out calculations using the extended computer package, including
– standardization of the orthorhombic, monoclinic, and triclinic ZFSP/CFP sets to ensure comparability of disparate sets taken from various sources;
– comparative analysis of low symmetry aspects inherent in the triclinic or monoclinic ZFSP/CFP sets obtained by us or reported in literature for the constituent 3d/4f ions in selected molecular nanomagnets (MNM);
– analysis of low symmetry aspects based on crystallographic data (cif files) using, e.g. SYMMOL computer package.