标题： 从力平衡方程得到的局域密度关联泛函 显示英文标题

标题： Local-density correlation functional from the force-balance equation

摘要： 含时密度泛函理论的力平衡方程为获得近似泛函提供了一条有前景的途径，然而，迄今为止，尚未有任何实用的相关泛函以这种方式推导出来。 在这项工作中，我们从Colle和Salvetti最初提出的关联波函数出发 [Theoret. Chim. Acta 37, 329 (1975)]，基于力平衡方程，为基态推导出一个解析的相关能量泛函。 新泛函与均匀电子气体的局域密度相关性进行了比较，我们发现它在原子体系中的性能有所提高，而在固体中的表现稍逊一筹。 从此以后，新的基于力的相关泛函可以系统地改进。 显示英文摘要

摘要： The force-balance equation of time-dependent density-functional theory presents a promising route towards obtaining approximate functionals, however, so far, no practical correlation functionals have been derived this way. In this work, starting from a correlated wavefunction proposed originally by Colle and Salvetti [Theoret. Chim. Acta 37, 329 (1975)], we derive an analytical correlation-energy functional for the ground state based on the force-balance equation. The new functional is compared to the local-density correlation of the homogeneous electron gas and we find an increased performance for atomic systems, while it performs slightly worse on solids. From this point onward, the new force-based correlation functional can be systematically improved.