用于准确预测Sub-GeV暗物质实验可达范围的超越DFT的$\textit{ab initio}$（从头算）计算
Beyond-DFT $\textit{ab initio}$ Calculations for Accurate Prediction of Sub-GeV Dark Matter Experimental Reach
AI总结：
该研究以硅为案例，指出传统Kohn-Sham密度泛函理论会高估亚GeV暗物质实验探测范围，引入GW近似的自能修正可提升预测准确性，为下一代暗物质探测器材料的理论计算选型提供参考。
摘要：
随着轻暗物质（DM）的搜寻空间转向亚GeV（Sub-GeV）的候选暗物质粒子，人们越来越关注由量子材料构建的固态探测器。尽管传统的固态探测器靶材（如Si或Ge）已被用于暗物质搜寻数十年，但更复杂的各向异性窄带隙材料更适合通过暗物质-电子散射和吸收通道探测亚MeV暗物质。为了确定一种新型靶材能否拓展轻暗物质的搜寻空间，有必要确定使用该材料开展的暗物质搜寻在暗物质质量-暗物质-电子散射截面参数空间中的预计可达范围。暗物质-电子散射率可通过第一性原理结合损失函数的知识计算得出，但这些预测的准确性受限于用于计算介电函数的第一性原理理论水平。本文中，我们对研究充分的半导体材料硅开展了案例研究，证明传统的Kohn-Sham密度泛函理论（DFT）计算会错误地高估预计的实验可达范围。我们表明，对于硅而言，这一问题可通过引入GW近似（GW approximation）中实现的自能修正来解决。此外，我们强调，在预测下一代复杂暗物质探测器材料的实验可达范围时，必须谨慎选择合适的理论水平。
英文摘要：
As the search space for light dark matter (DM) has shifted to sub-GeV DM candidate particles, increasing attention has turned to solid state detectors built from quantum materials. While traditional solid state detector targets (e.g. Si or Ge) have been utilized in searches for dark matter (DM) for decades, more complex, anisotropic materials with narrow band gaps are desirable for detecting sub-MeV dark matter through DM-electron scattering and absorption channels. In order to determine if a novel target material can expand the search space for light DM it is necessary to determine the projected reach of a dark matter search conducted with that material in the DM mass - DM-electron scattering cross-section parameter space. The DM-electron scattering rate can be calculated from first-principles with knowledge of the loss function, however the accuracy of these predictions is limited by the first-principles level of theory used to calculate the dielectric function. Here we perform a case study on silicon, a well-studied semiconducting material, to demonstrate that traditional Kohn-Sham density functional theory (DFT) calculations erroneously overestimate projected experimental reach. We show that for silicon this can be remedied by the incorporation of self-energy corrections as implemented in the GW approximation. Moreover, we emphasize the care that must taken in selecting the appropriate level of theory for predicting experimental reach of next-generation complex DM detector materials.
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