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The orientation-dependent strong-field ionization of CO molecules is investigated using the fully propagated three-dimensional time-dependent Hartree-Fock theory. The full ionization results are in good agreement with recent experiments.…

Atomic Physics · Physics 2013-10-30 Bin Zhang , Jianmin Yuan , Zengxiu Zhao

The ionization of two-active-electron systems by intense laser fields is investigated theoretically. In comparison with time-dependent Hartree-Fock and exact two electron simulation, we show that the ionization rate is overestimated in SAE…

Atomic Physics · Physics 2015-06-18 Zengxiu Zhao , Jianmin Yuan

We examine x-ray scattering from an isolated organic molecule from the linear to nonlinear absorptiveregime. In the nonlinear regime, we explore the importance of both the elastic and inelastic channelsand observe the onset of nonlinear…

Chemical Physics · Physics 2021-06-09 Phay J. Ho , Adam E. A. Fouda , Kai Li , Gilles Doumy , Linda Young

Characterization of the inner-shell decay processes in molecules containing heavy elements is key to understanding x-ray damage of molecules and materials and for medical applications with Auger-electron-emitting radionuclides. The 1s hole…

We coincidently measure the molecular frame photoelectron angular distribution and the ion sum-momentum distribution of single and double ionization of CO molecules by using circularly and elliptically polarized femtosecond laser pulses,…

Atomic Physics · Physics 2015-06-04 J. Wu , L. Ph. H. Schmidt , M. Kunitski , M. Meckel , S. Voss , H. Sann , H. Kim , T. Jahnke , A. Czasch , R. Dörner

We theoretically demonstrate a one-to-one mapping between the direction of electron ionization and the phase delay between a linearly polarized VUV and a circular IR laser pulse. To achieve this, we use an ultrashort VUV pulse that defines…

Atomic Physics · Physics 2022-10-26 M. Mountney , G. P. Katsoulis , S. H. Møller , K. Jana , P. Corkum , A. Emmanouilidou

Ultraintense pulses from X-ray free-electron lasers can drive, within femtoseconds, multiple processes in the inner shells of atoms and molecules in all phases of matter. The ensuing complex ionization pathways of outer-shell electrons from…

Ionization of an atom or molecule by a strong laser field produces sub-optical cycle wave packets whose control has given rise to attosecond science. The final states of the wave packets depend on ionization and deflection by the laser…

Streaked photoelectron emission spectra access the correlated dynamics of photoelectrons and residual target electrons with attosecond temporal resolution. We calculated ab initio single-ionization spectra for photoemission from helium…

Atomic Physics · Physics 2024-09-06 Hongyu Shi , Uwe Thumm

Coherence among rotational ion channels during photoionization is exploited to control the anisotropy of the resulting photoelectron angular distributions at specific photoelectron energies. The strategy refers to a robust and single…

Chemical Physics · Physics 2019-09-11 R. Chamakhi , M. Telmini , O. Atabek , E. Charron

XFELs provide X-ray pulses with unprecedented peak brightness and ultrashort duration. They are usually driven by planar undulators, meaning that the output radiation is linearly polarized. For many experimental applications, however,…

Accelerator Physics · Physics 2016-08-30 Svitozar Serkez , Gianluca Geloni , Vitali Kocharyan , Evgeni Saldin

We present the implementation of an electronic-structure approach dedicated to ionization dynamics of molecules interacting with x-ray free-electron laser (XFEL) pulses. In our scheme, molecular orbitals for molecular core-hole states are…

Chemical Physics · Physics 2015-05-18 Yajiang Hao , Ludger Inhester , Kota Hanasaki , Sang-Kil Son , Robin Santra

In attosecond streaking, an electron is released by a short xuv pulse into a strong near infrared laser field. When the laser coupling between two states in the target is weak relative to the detuning, the streaking technique, which allows…

Atomic Physics · Physics 2015-05-19 Jan Conrad Baggesen , Lars Bojer Madsen

A general scenario for electronic charge migration in finite samples illuminated by an intense laser pulse is given. Microscopic calculations for neon clusters under strong short pulses as produced by X-ray free-electron laser sources…

Atomic and Molecular Clusters · Physics 2009-04-30 Christian Gnodtke , Ulf Saalmann , Jan M. Rost

We propose an imaging technique to follow core-hole wave-packet oscillations in the nitrogen molecule. In this scheme, an attosecond x-ray pulse core-ionizes the nitrogen molecule and a subsequent attosecond x-ray pulse probes the evolution…

Chemical Physics · Physics 2019-08-15 Ludger Inhester , Loren Greenman , Artem Rudenko , Daniel Rolles , Robin Santra

Within the framework of the second-order non-relativistic quantum perturbation theory, the methods of the theory of irreducible tensor operators, and nonorthogonal orbitals, the absolute values and shape of the generalized cross-sections of…

Atomic Physics · Physics 2025-12-30 A. N. Hopersky , A. M. Nadolinsky , S. A. Novikov , R. V. Koneev

We study the polarization characteristics of x-ray photons scattered by hydrogenic atoms, based on the Dirac equation and second-order perturbation theory. The relativistic states used in calculations are obtained using the finite basis set…

Atomic Physics · Physics 2014-10-23 Laleh Safari , Jose Paulo Santos , Pedro Amaro , Filippo Fratini

K-shell ionization and characteristic x-ray radiation (CXR) by high-energy electrons and positrons in oriented silicon crystals are studied using computer simulation. A method for this simulation has been developed and is described in…

Atomic Physics · Physics 2026-04-14 S. V. Trofymenko , I. V. Kyryllin

The dynamics of molecular electron excitation and ionisation is studied in real-time for ultra-short IR laser pulses of intensity I>10^{13} W/cm^{2}. The multi-electron molecule is modeled by a system of two active electrons moving in a…

Optics · Physics 2015-06-26 A. I. Pegarkov

We introduce one-center method in spherical coordinates to carry out Hartree-Fock calculations. Both the radial wave function and the angular wave function are expanded by B-splines, and the radial knots and angular knots are adjusted to…

Atomic Physics · Physics 2013-08-30 Shi-lin Hu , Zeng-xiu Zhao , Ting-yun Shi
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