Controlling of the Ligand Field Splitting and the Solid State Properties of the Metal Complexes by DV-Xα Method

Tsuboi, Shino; Takashima, Akito; Ishii, Tomohiko; Sakane, Genta

Ligand Field Splitting
We investigated the typical solid state properties such as magnetism and the optical absorption properties by means of DV-Xα molecular orbital calculation in order to clarify the relationship with the ligand field splitting by changing slightly of the structure of the metal complexes.
The 4th International Conference on DV-Xα Method, Jeju, South Korea, 3-5 August 2006.
Controlling of the Ligand Field Splitting and the Solid State Properties of the Metal Complexes by DV-Xα Method

Bulletin of the Society for Discrete Variational Xα

Society for Discrete Variational Xα

19

1&2

78

82