The generalized Hubbard model is an important theoretical model for modeling strongly correlated materials. To be able to theoretically predict the properties of the materials, the model requires Hubbard’s $U$ and Hund’s $J$ parameter that represent the on-site Coulomb and exchange interaction, respectively. For bare Coulomb interactions, the analytic expression of $U$ and $J$ are analytically described by Racah’s $A,B,C$ parameters. However, the values of $U$ are too large for transition-metal-based materials. To obtain more accurate values for realistic materials, we employ a Yukawa-type screened Coulomb interaction, characterized by screening constant $\lambda$. We characterize $\lambda$ for transition metals. The modified $A,B,C$ parameters give a more realistic $U$ and $J$ values.

广义Hubbard模型是用于建模强相关材料的重要理论模型。为了能够从理论上预测材料的特性，该模型需要使用Hubbard的$ü$ 和洪德的 $Ĵ$分别代表现场库仑和交换相互作用的参数。对于裸库仑相互作用，的解析表达式$ü$ 和 $Ĵ$ 由拉卡的分析描述 $\mathrm{一种}，乙，C$参数。但是，$ü$对于过渡金属基材料来说太大了。为了获得逼真的材料的更准确的值，我们采用了Yukawa型筛选的库仑相互作用，其特征在于筛选常数$\lambda$。我们表征$\lambda$用于过渡金属。修改后$\mathrm{一种}，乙，C$ 参数给出更现实的 $ü$ 和 $Ĵ$ 价值观。