标题： 光电子能谱中虚假振荡的消除 显示英文标题

标题： Elimination of spurious oscillations on photoemission spectra

摘要： 我们提出了一种方法，用于准确计算一维光致电离问题中的跃迁概率。 我们的方法涉及求解时间依赖的薛定谔方程，并将其解投影到满足正确入射或出射边界条件的散射态上。 通常，通过将时间演化的波函数投影到未受扰的、时间独立哈密顿量的定态连续谱本征态上来获得光电子发射谱。 然而，当空间势是对称的时，初始束缚态和最终连续谱态都具有明确的宇称。 传播的波函数保留了初始束缚态的结构特征，包括其宇称。 因此，连续谱态宇称的变化可能会在投影中引入显著变化，导致计算出的电子发射谱出现虚假振荡。 我们的方法通过使用没有定义宇称的散射态来避免这一问题。 此外，它能够计算方向性发射，使得可以研究发射不对称性。 为了说明我们散射投影方法的能力，我们分析了在掠入射条件下，短激光脉冲作用于Al(111)金属表面的部分微分光致电离概率。 显示英文摘要

摘要： We present a method for accurately computing transition probabilities in one-dimensional photoionization problems. Our approach involves solving the time-dependent Schr\"odinger equation and projecting its solution onto scattering states that satisfy the correct incoming or outgoing boundary conditions. Conventionally, the photoelectron emission spectrum is obtained by projecting the time-evolved wavefunction onto the stationary continuum eigenstates of the unperturbed, time-independent Hamiltonian. However, when the spatial potential is symmetric, both the initial bound state and the final continuum states exhibit well-defined parity. The propagated wavefunction retains structural features of the initial bound state, including its parity. As a result, changes in the parity of the continuum states can introduce substantial variations in the projections, leading to spurious oscillations in the computed electron emission spectrum. Our method circumvents this issue by employing scattering states without defined parity. Furthermore, it enables the calculation of directional emission, making it possible to study emission asymmetries. To illustrate the capabilities of our scattering projection method, we analyze the partial differential photoionization probabilities of Al(111) metallic surfaces under short laser pulses at grazing incidence.