Photoelectron spectra with Qprop and t-SURFF

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Calculating strong-field, momentum-resolved photoelectron spectra (PES) from numerical solutions of the time-dependent Schrödinger equation (TDSE) is a very demanding task due to the large spatial excursions and drifts of electrons in intense laser fields. The time-dependent surface flux (t-SURFF) method for the calculation of PES [Tao and Scrinzi (2012)] allows to keep the numerical grid much smaller than the space over which the wavefunction would be spread at the end of the laser pulse. We... Title of program: Qprop Catalogue Id: ADXB_v2_0 Nature of problem When atoms are ionized by intense laser fields electrons may escape with large momenta (especially when rescattering is involved). This translates to a rapidly spreading wavefunction in numerical simulations of these systems thus rendering the calculation of PES very costly for increasing wave lengths and peak intensities. Versions of this program held in the CPC repository in Mendeley Data ADXB_v1_0; QPROP; 10.1016/j.cpc.2005.11.001 ADXB_v2_0; Qprop; 10.1016/j.cpc.2016.06.015

本程序源自贝尔法斯特女王大学（Queen's University Belfast）馆藏的CPC程序库（1969-2018）。
摘要 从含时薛定谔方程（time-dependent Schrödinger equation, TDSE）的数值解出发计算强场动量分辨光电子能谱（photoelectron spectra, PES）是一项极具挑战性的工作，原因在于强激光场中电子会发生大幅空间位移与漂移。针对光电子能谱计算的含时表面通量法（time-dependent surface flux, t-SURFF）[Tao与Scrinzi, 2012]可将数值网格的规模控制在远小于激光脉冲结束时波函数所弥散的空间范围之内。我们……
程序名称：Qprop
目录编号：ADXB_v2_0
问题本质：当原子被强激光场电离时，电子可能以高动量逃逸（尤其在涉及再散射的场景下）。这会导致此类系统的数值模拟中波函数快速弥散，进而使得随着波长与峰值强度的提升，光电子能谱的计算成本显著攀升。
Mendeley数据集中CPC库收录的该程序版本：
ADXB_v1_0；QPROP；DOI: 10.1016/j.cpc.2005.11.001
ADXB_v2_0；Qprop；DOI: 10.1016/j.cpc.2016.06.015