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The combination of photoelectron spectroscopy and ultrafast light sources is on track to set new standards for detailed interrogation of dynamics and reactivity of molecules. A crucial prerequisite for further progress is the ability to not…

We experimentally demonstrate spatiotemporal steering of photoelectron emission in multiphoton above-threshold single ionization of atoms exposed to a phase-controlled orthogonally polarized two-color (OTC) laser pulse. Spatial and energy…

We describe an ab initio and non-perturbative $R$-matrix with time-dependence theory for ultrafast atomic processes in light fields of arbitrary polarization. The theory is applicable to complex, multielectron atoms and atomic ions subject…

Atomic Physics · Physics 2018-12-04 D. D. A. Clarke , G. S. J. Armstrong , A. C. Brown , H. W. van der Hart

We propose angle-resolved photoelectron spectroscopy of aerosol particles as an alternative way to determine the electron mean free path of low energy electrons in solid and liquid materials. The mean free path is obtained from fits of…

When an atom or molecule absorbs a high-energy photon, an electron is emitted with a well-defined energy and a highly-symmetric angular distribution, ruled by energy quantization and parity conservation. These rules seemingly break down…

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

We investigate the strong-field ionization of atomic hydrogen in a few-cycle elliptically polarized infrared pulse by solving the time-dependent Schr\"odinger equation. The dependence of the photoelectron momentum distribution on the pulse…

Atomic Physics · Physics 2022-11-30 Nicolas Douguet , Klaus Bartschat

Photoelectron emission from excited states of laser-dressed atomic helium is analyzed with respect to laser intensity-dependent excitation energy shifts and angular distributions. In the two-color XUV (exteme ultra\-violet) -- IR (infrared)…

We present a method to compute the photoionization spectra of atoms and molecules in linear response time-dependent density functional theory. The electronic orbital variations corresponding to ionized electrons are expanded on a basis set…

Computational Physics · Physics 2023-05-24 Ivan Duchemin , Antoine Levitt

Real-time time-dependent density functional theory, in conjunction with the Ehrenfest molecular dynamics scheme, is becoming a popular methodology to investigate ultrafast phenomena on the nanoscale. Thanks to recent developments, it is…

Materials Science · Physics 2020-08-18 Jannis Krumland , Ana M. Valencia , Stefano Pittalis , Carlo A. Rozzi , Caterina Cocchi

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

We apply the coupled dynamics of time-dependent density functional theory and Maxwell equations to the interaction of intense laser pulses with crystalline silicon. As a function of electromagnetic field intensity, we see several regions in…

Other Condensed Matter · Physics 2015-06-03 K. Yabana , T. Sugiyama , Y. Shinohara , T. Otobe , G. F. Bertsch

We present a time-dependent localized Hartree-Fock density-functional linear response approach for the treatment of photoionization of atomic systems. This approach employs a spin-dependent localized Hartree-Fock (SLHF) exchange potential…

Quantum Physics · Physics 2015-05-13 Zhongyuan Zhou , Shih-I Chu

We discuss in depth the validity and limitations of a theoretical scheme to evaluate photo-electron spectra (PES) through collecting the phase oscillations at a given measuring point. Problems appear if the laser pulse is still active when…

Atomic and Molecular Clusters · Physics 2012-06-19 P. M. Dinh , P. Romaniello , P. -G. Reinhard , E. Suraud

We provide a theoretical framework for the prediction and interpretation of momentum dependent phonon spectra due to coherent inelastic scattering of electrons. We complete the approach with first principles lattice dynamics using periodic…

Materials Science · Physics 2019-04-08 R. J. Nicholls , F. S. Hage , D. G. McCulloch , Q. M. Ramasse , K. Refson , J. R. Yates

The multiphoton ionization rate of molecules depends on the alignment of the molecular axis with respect to the ionizing laser polarization. By studying molecular frame photo-electron angular distributions from N$_2$, O$_2$ and benzene, we…

Chemical Physics · Physics 2015-06-15 C T L Smeenk , L Arissian , A V Sokolov , M Spanner , K F Lee , A Staudte , D M Villeneuve , P B Corkum

We present a conceptually simple and technically straightforward method for calculating photoelectron wavefunctions that is easily integrable with standard wavefunction-based density-functional-theory packages. Our method is based on the…

Materials Science · Physics 2025-08-04 Ji Hoon Ryoo , Cheol-Hwan Park

X-ray photoelectron diffraction is a powerful tool for determining the structure of clean and adsorbate-covered surfaces. Extending the technique into the ultrafast time domain will open the door to studies as diverse as the direct…

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