标题： 时间依赖单激发组态相互作用方案中的光电子谱计算 显示英文标题

标题： Calculation of photoelectron spectra within the time-dependent configuration interaction singles scheme

摘要： 我们介绍了时间依赖的单配置相互作用（TDCIS）方法的扩展，用于计算光致电离过程中的电子动能谱。 特别是在强而长的电离光脉冲情况下，检测光电子是一个计算挑战，因为传播出射的光电子波包需要大的网格尺寸。 两种不同的方法被比较，以评估它们在方法和计算性能方面的表现。 第一种方法遵循Tong等人的方案\cite{tong}，其中光电子波函数通过一个实数分裂函数被吸收。 第二种方法来自Tao和Scrinzi \cite{scrinzi}，通过在固定半径处的表面测量电子波包的通量。 使用这两种方法可以获得完整的角度和能量分辨的光电子谱。 结合TDCIS方案，可以以通道分辨的方式分析出射电子的动力学，并且还可以研究母离子中束缚电子的动力学。 作为应用，通过能量和角度分辨的光电子谱研究了氩气在强XUV照射后的单光子和超越阈值电离（ATI）。 显示英文摘要

摘要： We present the extension of the time-dependent configuration interaction singles (TDCIS) method to the computation of the electron kinetic-energy spectrum in photoionization processes. Especially for strong and long ionizing light pulses the detection of the photoelectron poses a computational challenge because propagating the outgoing photoelectron wavepacket requires large grid sizes. Two different methods which allow for the extraction of the asymptotic photoelectron momentum are compared regarding their methodological and computational performance. The first method follows the scheme of Tong et al. \cite{tong} where the photoelectron wavefunction is absorbed by a real splitting function. The second method after Tao and Scrinzi \cite{scrinzi} measures the flux of the electron wavepacket through a surface at a fixed radius. With both methods the full angle- and energy-resolved photoelectron spectrum is obtained. Combined with the TDCIS scheme it is possible to analyze the dynamics of the outgoing electron in a channel-resolved way and, additionally, to study the dynamics of the bound electrons in the parent ion. As an application, one-photon and above-threshold ionization (ATI) of argon following strong XUV irradiation are studied via energy- and angle-resolved photoelectron spectra.