含时密度泛函理论中的非绝热近似：进展与展望
Non-Adiabatic Approximations in Time-Dependent Density Functional Theory: Progress and Prospects
AI总结：
本文综述了含时密度泛函理论中非绝热（记忆依赖）交换关联泛函近似的研究进展、对计算的影响及开发实用精确泛函所面临的挑战。
摘要：
含时密度泛函理论持续吸引着众多领域的大量用户，探索涉及电子光谱与动力学的广泛应用。尽管该理论原则上精确，但计算的预测能力受限于现有的交换关联泛函近似。特别是，已知精确的交换关联泛函具有记忆依赖性，但在实际中使用的绝热近似忽略了这一点。本文回顾了非绝热泛函近似的发展、其对计算的影响，以及在为通用目的开发实用且精确的记忆依赖泛函方面所面临的挑战。
英文摘要：
Time-dependent density functional theory continues to draw a large number of users in a wide range of fields exploring myriad applications involving electronic spectra and dynamics. Although in principle exact, the predictivity of the calculations is limited by the available approximations for the exchange-correlation functional. In particular, it is known that the exact exchange-correlation functional has memory-dependence, but in practise adiabatic approximations are used which ignore this. Here we review the development of non-adiabatic functional approximations, their impact on calculations, and challenges in developing practical and accurate memory-dependent functionals for general purposes.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
