We give a perspective on simulating electronic excitation and dynamics using the real-time propagation approach to time-dependent density functional theory (RT-TDDFT) in the plane-wave pseudopotential formulation. RT-TDDFT is implemented in various numerical formalisms in recent years, and its practical application often dictates the most appropriate implementation of the theory. We discuss recent developments and challenges, emphasizing numerical aspects of studying real systems. Several applications of RT-TDDFT simulation are discussed to highlight how the approach is used to study interesting electronic excitation and dynamics phenomena in recent years.

中文翻译：

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在平面波赝势公式中使用 TDDFT 的实时传播方法模拟电子激发和动力学

我们给出了在平面波赝势公式中使用瞬态密度泛函理论 (RT-TDDFT) 的实时传播方法模拟电子激发和动力学的观点。近年来，RT-TDDFT 以各种数值形式实现，其实际应用往往决定了该理论的最合适实现。我们讨论最近的发展和挑战，强调研究真实系统的数值方面。讨论了 RT-TDDFT 模拟的几种应用，以强调近年来如何使用该方法研究有趣的电子激发和动力学现象。