A semi-analytical approach for the difference method using numerically calculated G₀W₀ band gaps and analytically calculated exciton binding energies based on the fractional Coulomb potential model is proposed to calculate optical gaps of 46 2D materials ranging from ultra-violet to infrared region. The suggested methodology is compared with difference methods of a similar hybrid approach, utilizing conventional exciton models based on Wannier–Mott theory to achieve a significant reduction in the average relative mean square error of optical gaps, up to one-third, benchmarked with a fully numerical approach, employing G₀W₀ band gaps and the state-of-the-art Bethe–Salpeter equation for binding energy calculation.

提出了一种基于分数库仑势模型使用数值计算的 G ₀ W ₀带隙和解析计算的激子结合能的差分方法的半解析方法来计算从紫外到红外区域的 46 种二维材料的光学间隙。将建议的方法与类似混合方法的不同方法进行比较，利用基于 Wannier-Mott 理论的传统激子模型实现光学间隙的平均相对均方误差显着降低，高达三分之一，以完全为基准数值方法，采用 G ₀ W ₀带隙和最先进的 Bethe-Salpeter 方程进行结合能计算。