标题： 从Bethe-Salpeter方程看分子性质的指南 显示英文标题

标题： A Guide to Molecular Properties from the Bethe-Salpeter Equation

摘要： Bethe-Salpeter方程（BSE）结合格林函数GW方法已成功转化为一种强大的计算工具，用于从头原理描述分子、固体和材料的光-物质相互作用和激发谱。 由于其能够准确描述电荷转移和里德伯激发，GW-BSE已经形成了一个既成熟又成本效益高的时间依赖密度泛函理论的替代方法。 这引发了这样一个问题，即GW-BSE方法是否可以成为超越激发能的分子性质的更通用框架。 在本次简要综述中，我们回顾了在这一观点上量子化学、物理化学及相关领域的理论和实际发展方面的最新努力。 在此过程中，我们提供了与实验学家合作解决当前化学挑战的应用指南，以及扩展GW-BSE工具包的未来发展方向。 显示英文摘要

摘要： The Bethe-Salpeter equation (BSE) combined with the Green's function GW method has successfully transformed into a robust computational tool to describe light-matter interactions and excitation spectra for molecules, solids, and materials from first principles. Thanks to its ability to accurately describe charge-transfer and Rydberg excitations, the GW-BSE already forms an established and cost-efficient alternative to time-dependent density functional theory. This raises the question whether the GW-BSE approach can become a more general framework for molecular properties beyond excitation energies. In this mini-review, we recapitulate recent endeavors along this point in terms of both theoretical and practical developments for quantum chemistry, physical chemistry, and related fields. In doing so, we provide guidelines for current applications to chemical challenges in collaboration with experimentalists as well as to future developments to extended the GW-BSE toolkit.