Computational electronic-structure calculations of nanoscale systems are powerful tools which provide fundamental insight, help interpret experiment results, and ultimately aid the development of new materials. Density functional theory (DFT) dominates this field, and has had an enormously beneficial impact on nanoscience. However, there are still many situations in which present DFT fails to provide accurate quantitative predictions. The development of methods which provide more reliable predictive power is a growing field, and these approaches are becoming practical alternatives to DFT for nanoscience applications. In this article, we review four promising alternatives: Diffusion Monte Carlo, domain-based local pair natural orbital coupled cluster, the time-dependent formulation of DFT, and the GW method. We provide descriptive overviews of each method, accompanied by examples of where they have been applied to problems relevant to nanoscience, and discuss the major challenges...

中文翻译：

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后DFT方法用于纳米科学的路线图

纳米级系统的计算电子结构计算是功能强大的工具，可提供基础洞察力，帮助解释实验结果并最终帮助开发新材料。密度泛函理论（DFT）主导了这一领域，并且对纳米科学产生了巨大的有益影响。但是，在许多情况下，当前的DFT无法提供准确的定量预测。提供更可靠的预测能力的方法的发展是一个不断发展的领域，这些方法正在成为纳米科学应用中DFT的实用替代方法。在本文中，我们回顾了四个有前途的替代方法：扩散蒙特卡洛法，基于域的本地对自然轨道耦合簇，DFT的时间依赖公式和GW方法。