标题： 简化、物理启发和普适的范围分离调节 显示英文标题

标题： Simplified, Physically Motivated, and Universally Applicable Range-Separation Tuning

摘要： 范围分离杂化泛函结合“电离能”和/或“最佳调节”的屏蔽参数已被证明是在广泛系统中描述激发态性质的最实用和最准确的方法之一，包括凝聚态物质。 然而，这种方法通常需要多次自洽计算，并且可能会变得计算昂贵且不稳定，特别是在扩展系统中尤其如此。 在这项工作中，我们提出了一种非常简单且高效的替代方法来确定屏蔽参数，该方法仅基于系统的总电子密度和密度泛函理论（DFT）的压缩性总和规则。 这种有效的屏蔽参数实现了显著的准确性，特别是在电荷转移激发方面，超越了之前建议的替代方法的性能。 由于它仅依赖于电子密度，所提出的这种方法在物理上透明且高度实用，可用于自动化大型和复杂系统的DFT计算，包括无法进行“调节”的块状固体。 显示英文摘要

摘要： Range-separated hybrid functionals with ``ionization energy'' and/or ``optimal tuning'' of the screening parameter have proven to be among the most practical and accurate approaches for describing excited-state properties across a wide range of systems, including condensed matter. However, this method typically requires multiple self-consistent calculations and can become computationally expensive and unstable, particularly for extended systems. In this work, we propose a very simple and efficient alternative approach to determine the screening parameter, based solely on the total electron density of the system and the compressibility sum rule of density functional theory (DFT). This effective screening parameter achieves remarkable accuracy, particularly for charge-transfer excitations, surpassing the performance of previously suggested alternatives. Because it relies only on the electron density, the proposed approach is physically transparent and highly practical to automate DFT calculations in large and complex systems, including bulk solids, where ``tuning'' is not possible.