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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

The time-dependent surface flux method developed for the description of electronic spectra [L. Tao and A. Scrinzi, New J. Phys. 14, 013021 (2012); A. Scrinzi, New J. Phys. 14, 085008 (2012)] is extended to treat dissociation and…

Atomic Physics · Physics 2014-10-09 Lun Yue , Lars Bojer Madsen

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

The time dependent surface flux (t-SURFF) method is extended to single and double ionization of two electron systems. Fully differential double emission spectra by strong pulses at extreme UV and infrared wave length are calculated using…

Atomic Physics · Physics 2014-05-19 Armin Scrinzi

Strong field ionization is difficult to treat theoretically due to the simultaneous need to treat bound state dynamics accurately and continuum dynamics efficiently. We address this problem by decomposing the time dependent Schroedinger…

Atomic Physics · Physics 2013-05-02 Zachary B. Walters , Jan-Michael Rost

A global solution of the Schr\"odinger equation for explicitly time-dependent Hamiltonians is derived by integrating the non-linear differential equation associated with the time-dependent wave operator. A fast iterative solution method is…

Quantum Physics · Physics 2015-05-18 Arnaud Leclerc , Georges Jolicard

Short-time filtering of the photoionization amplitude extracted straight from the numerical solution of the time-dependent Schr\"{o}dinger equation (TDSE) is used to identify dominant pathways that form photoelectron spectra in strong…

Atomic Physics · Physics 2020-10-21 V. A. Tulsky , D. Bauer

In this work we present the theoretical framework for the solution of the time-dependent Schr\"{o}dinger equation (TDSE) of atomic and molecular systems under strong electromagnetic fields with the configuration space of the electron's…

Atomic Physics · Physics 2009-11-13 L. A. A. Nikolopoulos , J. S. Parker , K. T. Taylor

It is shown that exterior complex scaling provides for complete absorption of outgoing flux in numerical solutions of the time-dependent Schr\"odinger equation with strong infrared fields. This is demonstrated by computing high harmonic…

Computational Physics · Physics 2014-05-19 Armin Scrinzi

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

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

The split-operator pseudo-spectral method based on the fast Fourier transform (SO-FFT) is a fast and accurate method for the numerical solution of the time-dependent Schr\"odinger-like equations (TDSE). As well as other grid-based…

Atomic Physics · Physics 2015-09-02 Vladislav V. Serov , Tatiana A. Sergeeva

The time-dependent Schr\"odinger equation (TDSE) in real space is fundamental to understanding the dynamics of many-electron quantum systems, with applications ranging from quantum chemistry to condensed matter physics and materials…

Quantum Physics · Physics 2026-03-31 Enze Hou , Yuzhi Liu , Linxuan Zhang , Difa Ye , Lei Wang , Han Wang

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…

Modern laser systems are able to generate short and intense laser pulses ionizing matter in the poorly explored barrier-suppression regime. Field ionization in this regime is studied analytically and numerically. For analytical studies,…

Atomic Physics · Physics 2018-11-15 I. Yu. Kostyukov , A. A. Golovanov

A general {\it ab-initio} and non-perturbative method to solve the time-dependent Schr\"odinger equation (TDSE) for the interaction of a strong attosecond laser pulse with a general atom, i.e., beyond the models of quasi-one-electron or…

Atomic Physics · Physics 2016-11-17 X. Guan , O. Zatsarinny , K. Bartschat , B. I. Schneider , J. Feist , C. J. Noble

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

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

This paper proposes a frequency/time hybrid integral-equation method for the time dependent wave equation in two and three-dimensional spatial domains. Relying on Fourier Transformation in time, the method utilizes a fixed…

Numerical Analysis · Mathematics 2020-04-30 Thomas G. Anderson , Oscar P. Bruno , Mark Lyon

Bichromatic extreme-ultraviolet pulses from a seeded free-electron laser enable us to measure photoelectron angular distribution (PAD) as a function of the relative phase between the different wavelength components. The time-dependent…

Atomic Physics · Physics 2021-05-26 Yuki Orimo , Oyunbileg Tugs , Takeshi Sato , Daehyun You , Kiyoshi Ueda , Kenichi L. Ishikawa
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