关键词: 能量矩阵, 吸收光谱, Schottky热容量, 顺磁磁化率, Ni(M)₄X₂

Abstract: In this paper, we have designed computer program for calculated eigenvalues, eigenvectors of the energy matrices and fitted spectra, ZFS(Zero field splitting), EPR (Electron paramagnetic resonance) parameters of the Ni(M)₄X₂(M=pz、mpz,X=Cl、Br、I) compounds, by using complete configuration mixing unified crystal field theory. By this program, the spectra, ZFS,EPR parameters of the compound s Ni(M)₄X₂(M=pz、mpz,X=Cl、Br、I) are fitted with a single set of parameters. We have summarized general law that is fitted. All results consist with the experimental data.

Key words: Energy matrix, Absorption spectra, Schottky heat capacity, Paramagnetic susceptibility, Ni (M)₄X₂