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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…

Computational Physics · Physics 2025-04-10 Martín Barlari , Diego G. Arbó , María Silvia Gravielle , Darío M. Mitnik

We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that…

Atomic Physics · Physics 2012-06-28 U. De Giovannini , D. Varsano , M. A. L. Marques , H. Appel , E. K. U. Gross , A. Rubio

We present an ab initio approach to solve the time-dependent Schr\"odinger equation to treat electron and photon impact multiple ionization of atoms or molecules. It combines the already known time scaled coordinate method with a new high…

Focused laser fields with textured polarization on a sub-wavelength scale allow extracting information on electronic processes which are not directly accessible by homogeneous fields. Here, we consider photoionization in radially and…

Atomic Physics · Physics 2021-06-30 Jonas Wätzel , Jamal Berakdar

The time-dependent surface flux (t-SURFF) method is introduced for computing of strong-field infrared photo-ionization spectra of atoms by numerically solving the time-dependent Schr\"odinger equation on minimal simulation volumes. The…

Computational Physics · Physics 2015-05-30 Liang Tao , Armin Scrinzi

We investigate the photoionization spectrum of helium by attosecond XUV pulses both in the spectral region of doubly excited resonances as well as above the double ionization threshold. In order to probe for convergence, we compare three…

The energy and the angular distributions of photoelectrons are shown to be tunable by choosing the time and the spatial phase structure of the driving fields. These conclusions are derived from quantum mechanical calculations done within a…

Atomic Physics · Physics 2023-03-15 Jonas Wätzel , Johannes Hahn , Jamal Berakdar

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…

Atomic Physics · Physics 2014-04-17 Antonia Karamatskou , Stefan Pabst , Yi-Jen Chen , Robin Santra

Using a quantum wave packet simulation including the nuclear and electronic degrees of freedom, we investigate the femtosecond and picosecond energy- and angle-resolved photoelectron spectra of the E($^1\Sigma_g^+$) electronic state of…

Chemical Physics · Physics 2019-04-04 R. Chamakhi , R. Puthumpally-Joseph , M. Telmini , E. Charron

By analyzing ``exact'' theoretical results from solving the time-dependent Schr\"odinger equation of atoms in few-cycle laser pulses, we established the general conclusion that differential elastic scattering and photo-recombination cross…

Atomic Physics · Physics 2008-04-04 Toru Morishita , Anh-Thu Le , Zhangjin Chen , C. D. Lin

With the development of laser technology, pulse length enters the optical cycle regime and hence the interaction time between laser pulse and atoms becomes prominent. We investigate this problem in this Letter through the photoelectron…

Optics · Physics 2010-04-13 Yang Xiang , Yueping Niu , Yihong Qi , Shangqing Gong

We review different computational methods for the calculation of photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses using time-dependent density-functional theory (TDDFT) that are suitable…

Chemical Physics · Physics 2017-03-28 Philipp Wopperer , Umberto De Giovannini , Angel Rubio

We present a numerical implementation of the time-dependent surface flux (tSURFF) method [New J. Phys. 14, 013021 (2012)], an efficient computational scheme to extract photoelectron energy spectra, to the time-dependent multiconfiguration…

Atomic Physics · Physics 2019-08-07 Yuki Orimo , Takeshi Sato , Kenichi L. Ishikawa

An analytical approach to quantum mechanical wave packet dynamics of laser-driven particles is presented. The time-dependent Schroedinger equation is solved for an electron exposed to a linearly polarized plane wave of arbitrary shape. The…

Quantum Physics · Physics 2007-05-23 M. Verschl , C. H. Keitel

The time-dependent Schr\"{o}dinger equation for the hydrogen atom and its interaction with coherent intense high-frequency short laser pulses is solved numerically exactly by propagating the single-electron wave packets. Thereby, the…

Atomic Physics · Physics 2013-09-11 Philipp V. Demekhin , David Hochstuhl , Lorenz S. Cederbaum

We present an exact single-electron picture that describes the correlated electron dynamics in strong laser fields. Our approach is based on the factorization of the electronic wavefunction as a product of a marginal and a conditional…

Chemical Physics · Physics 2017-04-26 Axel Schild , E. K. U. Gross

Multiphoton ionization of sodium by laser pulses of 800 nm wavelength and 57 fs duration is studied in the range of laser peak intensities belonging to over-the-barrier ionization regime. Photoelectron momentum distributions (PMD) and the…

Atomic Physics · Physics 2019-03-21 Andrej Bunac , Duška B. Popović , Nenad S. Simonović

An embedding method for solving the time-dependent Schr\"odinger equation is developed using the Dirac-Frenkel variational principle. Embedding allows the time-evolution of the wavefunction to be calculated explicitly in a limited region of…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 J. E. Inglesfield

A method of solving the time-dependent Schr\"odinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an…

Materials Science · Physics 2009-11-13 J. E. Inglesfield

Calculating strong-field, momentum-resolved photoelectron spectra (PES) from numerical solutions of the time-dependent Schr\"odinger equation (TDSE) is a very demanding task due to the large spatial excursions and drifts of electrons in…

Atomic Physics · Physics 2017-11-21 Volker Mosert , Dieter Bauer
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