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The capability of generating two intense, femtosecond x-ray pulses with controlled time delay opens the possibility of performing time-resolved experiments for x-ray induced phenomena. We have applied this capability to study the…

Double core-hole (DCH) spectroscopy is investigated systematically for neon atomic system in the interaction with ultraintense x-ray pulses with photon energy from 937 eV to 2000 eV. A time-dependent rate equation, implemented in the…

Atomic Physics · Physics 2015-02-10 Cheng Gao , Jiaolong Zeng , Jianmin Yuan

We have theoretically investigated the double core-hole (DCH) states of the open-shell molecules and examined the possibility of DCH spectroscopy by means of X-ray two-photon photoelectron spectroscopy (XTPPS). Energies of many DCH states…

Chemical Physics · Physics 2015-05-19 Motomichi Tashiro , Masahiro Ehara , Kiyoshi Ueda

We report on theoretical Auger electron kinetic energy distribution originated from sequential two-step Auger decays of molecular double core-hole (DCH) state, using CH4, NH3 and H2CO molecules as representative examples. For CH4 and NH3…

Chemical Physics · Physics 2015-05-30 Motomichi Tashiro , Kiyoshi Ueda , Masahiro Ehara

We investigate the role of nuclear motion and strong-field-induced electronic couplings during the double ionization of deuterated water using momentum-resolved coincidence spectroscopy. By examining the three-body dicationic dissociation…

We present a combined experimental and theoretical investigation of the radiationless decay spectrum of an O 1s double core hole in liquid water. Our experiments were carried out using liquid-jet electron spectroscopy from cylindrical…

We study the ultrafast dynamics initiated by a coherent superposition of core-excited states of nitrous oxide molecule. Using high-level \textit{ab-initio} methods, we show that the decoherence caused by the electronic decay and the nuclear…

Polyatomic molecules in strong laser fields can undergo substantial nuclear motion within tens of femtoseconds. Ion imaging methods based on dissociation or Coulomb explosion therefore have difficulty faithfully recording the geometry…

The ultrafast electronic and nuclear dynamics of H2 laser-induced double ionization is studied using a time-dependent wave packet approach that goes beyond the fixed nuclei approximation. The double ionization pathways are analyzed by…

Quantum Physics · Physics 2011-11-09 Sebastien Saugout , Christian Cornaggia , Annick Suzor-Weiner , Eric Charron

Understanding the interaction between metal ions and their aqueous environment is fundamental in many areas of chemistry, biology, and environmental science. In this study, we investigate the electronic structure of hydrated calcium ions,…

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 explore the potential of double core hole electron spectroscopy for chemical analysis in terms of x-ray two-photon photoelectron spectroscopy (XTPPS). The creation of deep single and double core vacancies induces significant…

Soft X-rays (90-173 eV) from the 3rd generation Canadian Light Source have been used in conjunction with a multi coincidence time and position sensitive detection apparatus to observe the dissociative ionization of OCS. By varying the X-ray…

We investigate the creation of double K-shell holes in N2 molecules via sequential absorption of two photons on a timescale shorter than the core-hole lifetime by using intense x-ray pulses from the Linac Coherent Light Source free electron…

In this letter, we present non-degenerate ultrafast optical pump-probe studies of the carrier recombination dynamics in MoS$_{2}$ monolayers. By tuning the probe to wavelengths much longer than the exciton line, we make the probe…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Haining Wang , Changjian Zhang , Farhan Rana

We explore the correlated dynamics of an electron-hole and a proton after ionization of a protonated water cluster by extreme ultra-violet (XUV) light. An ultrafast decay mechanism is found in which the proton--hole dynamics after the…

Chemical Physics · Physics 2015-06-12 Zheng Li , Mohamed El-Amine Madjet , Oriol Vendrell , Robin Santra

The possibility of suddenly ionized molecules undergoing extremely fast electron hole dynamics prior to significant structural change was first recognized more than 20 years ago and termed charge migration. The accurate probing of ultrafast…

Because of their central importance in chemistry and biology, water molecules have been the subject of decades of intense spectroscopic investigations. Rotational spectroscopy of water vapor has yielded detailed information about the…

Chemical Physics · Physics 2020-10-07 Yaqing Zhang , Jiaojian Shi , Xian Li , Stephen L. Coy , Robert W. Field , Keith A. Nelson

A theoretical comparison of the electronic excitation and ionisation behaviour of molecular hydrogen oriented either parallel or perpendicular to a linear polarised laser pulse is performed. The investigation is based on a non-perturbative…

Quantum Physics · Physics 2009-11-13 Yulian V. Vanne , Alejandro Saenz

We analyze the performance of two different core-hole potentials in the theoretical modeling of XAS of ice, liquid and gas phase water; the use of a full core-hole (FCH) in the calculations, as suggested by Hetenyi et al. [J. Chem. Phys.…

Soft Condensed Matter · Physics 2017-09-13 Matteo Cavalleri , Michael Odelius , Dennis Nordlund , Anders Nilsson , Lars G. M. Pettersson
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