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With the classical ensemble method, the correlated-electron dynamics of Mg atom from a doubly excited, transition Coulomb complex in few-cycle circularly polarized (CP) laser field at low laser intensity is theoretically investigated. The low energy transfer during the recollision process indicates that the two electrons cannot release directly, but it can pass through a doubly excited state, and then escape with the ionization time difference. The numerical results show that the feature of the sequential double ionization (SDI) can be observed in the nonsequential double ionization (NSDI) process. The SDI-like results demonstrate that the intermediate state has lost any memory of its formation dynamics. The distribution of the angle between the two release directions of the two electrons also depends on the ionization time difference. Finally, the influence of e-e Coulomb repulsion is discussed.
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http://dx.doi.org/10.1364/OE.25.001288 | DOI Listing |
Inorg Chem
September 2025
Laboratoire de Chimie Physique Matière et Rayonnement (LCPMR), CNRS UMR 7614, Sorbonne Université (SU), 4 place Jussieu, Paris 75005, France.
The one-photon KV X-ray photoelectron spectra of Na and its hydrated clusters [Na(HO)] ( = 1-6) are dominated by the unusual 1s → 1s3s transition. KV spectroscopy also reveals a pronounced redistribution of the 1s → 1s3p transition cross sections, directly correlated with hydration number and molecular arrangement. Its intrinsic two-step nature, involving simultaneous core ionization and core excitation, enables detailed investigation of solvation-induced electronic structure changes, including dipole-forbidden excitations, core-valence charge transfer, and subtle 1s → V energy shifts.
View Article and Find Full Text PDFJ Chem Phys
September 2025
Department of Chemistry, KU Leuven, B-3001 Leuven, Belgium.
We model Auger spectra using second-order Møller-Plesset perturbation (MP2) theory combined with complex-scaled basis functions. For this purpose, we decompose the complex MP2 energy of the core-hole state into contributions from specific decay channels and propose a corresponding equation-of-motion (EOM) method for computing the doubly ionized final states of Auger decay. These methods lead to significant savings in computational cost compared to our recently developed approaches based on coupled-cluster theory [F.
View Article and Find Full Text PDFJ Chem Phys
September 2025
Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390, USA.
We present an implementation of relativistic double ionization potential (DIP) equation-of-motion coupled cluster (EOMCC) with up to 4-hole-2-particle (4h2p) excitations that makes use of the molecular mean-field exact two-component (mmfX2C) framework. We apply mmfX2C-DIP-EOMCC to several neutral atoms and diatomic molecules to obtain the ground and first few excited states of the corresponding dication species, and we observe excellent agreement (to within 0.001 eV) between DIPs obtained from mmfX2C- and four-component DIP-EOMCC calculations that include 3-hole-1-particle (3h1p) excitations, with either the Dirac-Coulomb or Dirac-Coulomb-Gaunt Hamiltonians.
View Article and Find Full Text PDFBlood Neoplasia
November 2025
Section of Hematology/Oncology, The University of Chicago, Chicago, IL.
Modern multiple myeloma treatment enables deep and sustained responses, necessitating assessment of minimal residual disease (MRD) in the bone marrow to refine response categorization. Recently, mass spectrometry (MS)-based methods have emerged as highly sensitive tools for measuring MRD in the peripheral blood. However, the role specific MS techniques play in response categorization has yet to be established.
View Article and Find Full Text PDFAppl Radiat Isot
August 2025
Université Paris-Saclay, CEA, List, Laboratoire National Henri Becquerel (LNE-LNHB), Palaiseau, 91120, France.
Lead-212/Bismuth-212 is a promising radiopharmaceutical with high therapeutic potential for Targeted Alpha Therapy. In this paper, the activity standardization of Pb in equilibrium with its progeny was addressed by means of several measurement techniques at LNE-LNHB using a radioactive solution of Pb-DOTAMTATE supplied by Orano Med (France). The primary standard was established by liquid scintillation counting using the Triple-to-Double Coincidence Ratio (TDCR) method and transferred to the Vinten 671 ionization chamber.
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