tRecX -- an environment for solving time-dependent Schrödinger-like problems

DOI10.1016/J.CPC.2021.108146arXiv2101.08171OpenAlexW3121407350MaRDI QIDQ6162804FDOQ6162804

Authors: A. Scrinzi 

Publication date: 16 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Abstract: TRecX is a C++ code for solving generalized inhomogeneous time-dependent Schr"odinger-type equations $idPsi/dt=H[t,Psi]+Phi$ in arbitrary dimensions and in a variety of coordinate systems. The operator $H[t,Psi]$ may have simple non-linearities, as in Gross-Pitaevskii and Hartree(-Fock) problems. Primary application of tRecX has been non-perturbative strong-field single and double photo-electron emission in atomic and molecular physics. The code is designed for large-scale {it ab initio} calculations, for exploring models, and for advanced teaching in computational physics. Distinctive numerical methods are the time-dependent surface flux method for the computation of single and double emission spectra and exterior complex scaling for absorption. Wave functions and operators are handled by tree-structures with the systematic use of recursion on the coarse-grain level. Numerical, analytic, and grid-based discretizations can be combined and are treated on the same abstract level. Operators are specified in the input using a script language including symbolic algebra. User-friendly in- and output, error safety, and documentation are integrated by design.

Full work available at URL: https://arxiv.org/abs/2101.08171

zbMATH Keywords

recursive structurestrong field physicsattosecond physicsSchrödinger solver

Mathematics Subject Classification ID

Numerical analysis (65-XX) Fluid mechanics (76-XX)

Cites Work

• Quadratures on a sphere
• Perfect absorption in Schrödinger-like problems using non-equidistant complex grids

Cited In (2)

• The hybrid anti-symmetrized coupled channels method (haCC) for the tRecX code
• An open source virtual laboratory for the Schrödinger equation

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