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We use the recently introduced independent-atom-model pixel counting method to calculate proton-impact net ionization cross sections for a large class of biologically relevant systems including pyrimidines, purines, amino acids, and…

Atomic and Molecular Clusters · Physics 2019-10-02 Hans Jürgen Lüdde , Marko Horbatsch , Tom Kirchner

The ionization by photon or electron impact of the inner (2a1) and outer (1t2) valence orbitals of the CH4 molecule is investigated theoretically. In spite of a number of approximations, including a monocentric approach and a rather simple…

Chemical Physics · Physics 2024-05-15 Abdallah Ammar , Arnaud Leclerc , Lorenzo Ugo Ancarani

In this paper we study theoretically the process of electron capture between one-optical-electron atoms (e.g. hydrogenlike or alkali atoms) and ions at low-to-medium impact velocities (v/v_e <= 1) working on a modification of an already…

Atomic Physics · Physics 2009-11-06 F. Sattin

Based on the semiclassical, impact parameter method a theoretical model is constructed to calculate totally differential cross sections for single ionization of helium by impact with fast C$^{6+}$ ions. Good agreement with the experiment is…

Atomic Physics · Physics 2007-10-22 F. Jarai-Szabo , L. Nagy

An extension of the analytical model of Talukder et al (Int. J. Mass Spectrom. 269 (2008) 118) is proposed to estimate electron impact single L- and M-shell ionization cross sections of atoms with incident energy from threshold to…

Atomic Physics · Physics 2011-10-05 M. R. Talukder

This work presents a comprehensive benchmark and validation of a recently proposed method called Effective Bethe Ansatz (EBA). It is a variational method that deforms the exact Bethe wavefunctions of one-dimensional spin chains at…

Statistical Mechanics · Physics 2026-04-07 Zhuohang Wang , Rui-Dong Zhu

Experimental results on partial photo-ionisation cross sections of helium are analysed in the light of recent advances in the semiclassical theory of two-electron atoms. Byun et al (arXiv:physics/0701086) predict that the total…

Atomic Physics · Physics 2009-11-13 Gregor Tanner , Nark Nyul Choi , Min-Ho Lee , Achim Czasch , Reinhard Doerner

We apply a recently introduced model for an independent-atom-like calculation of ion-impact electron transfer and ionization cross sections to proton collisions from water, neon, and carbon clusters. The model is based on a geometrical…

Atomic and Molecular Clusters · Physics 2018-12-20 Hans Jürgen Lüdde , Marko Horbatsch , Tom Kirchner

We provide cross sections and Maxwell rate coefficients for reactive collisions of slow electrons with BeH$^+$ ions on all the eighteen vibrational levels ($X{^{1}\Sigma^{+}},v_{i}^{+}=0,1,2,\dots,17$) using a Multichannel Quantum Defect…

We extend a recently developed three-dimensional semiclassical model to study double and triple ionization of Ne driven by infrared laser pulses at various intensities. This model fully accounts for the Coulomb singularity of each electron…

Atomic Physics · Physics 2025-12-18 Samuel James Praill , Georgios Petros Katsoulis , Agapi Emmanouilidou

A comprehensive compilation of experimental K-shell ionization cross sections induced by electron impact has been assembled, including results up to December 2024. The data are organized according to the target atomic number and to the…

To include the bound electron effects in particle-in-cell (PIC) simulation, we propose a model in which the response of the dipole components of partially ionized ions to external electromagnetic fields can be included. Instead of treating…

Plasma Physics · Physics 2022-08-18 Xiangyan An , Min Chen , Zheng-Ming Sheng , Jie Zhang

Based on the proposed representation of the Mott corrections to the Bethe stopping formula in the form of rapidly convergent series of quantities bilinear in the Mott partial amplitudes, the numerical calculations were performed for these…

Nuclear Theory · Physics 2020-06-11 O. Voskresenskaya

To provide a comprehensive data set for track structure-based simulations of radiation damage in DNA, doubly differential electron-impact ionization cross sections of pyrimidine, a building block of the nucleobases cytosine and thymine,…

Chemical Physics · Physics 2024-06-25 M. Dinger , W. Y. Baek , H. Rabus

The predictive capability of a plasma discharge model depends on accurate representations of electron-impact collision cross sections, which determine the key reaction rates and transport properties of the plasma. Although many cross…

Plasma Physics · Physics 2024-10-14 Seung Whan Chung , Todd A. Oliver , Laxminarayan L. Raja , Robert D. Moser

The delta function gauge of the electromagnetic potential allows semiclassical formulas to be obtained for the probability of exciting a single electron out of the ground state in an ultrarelativistic heavy ion reaction. Exact formulas have…

Atomic Physics · Physics 2008-12-18 A. J. Baltz

We have calculated the electron impact partial and total ionization cross sections of important gaseous targets, such as Trifluoromethane (CHF$_3$), 1,1,1,2-Tetrafluoroethane $(\mathrm{C_2H_2F_4})$ or R134a, 1,1,1-Trifluoroethane…

Chemical Physics · Physics 2024-08-26 Suriyaprasanth S , Dhanoj Gupta

This work constructs an advanced force field, the Completely Multipolar Model (CMM), to quantitatively reproduce each term of an energy decomposition analysis (EDA) for aqueous solvated alkali metal cations and halide anions and their ion…

Chemical Physics · Physics 2024-10-14 J. P. Heindel , L. Kim , M. Head-Gordon , T. Head-Gordon

The previously applied independent atom model (IAM) for highly charged ion-molecule collisions which implemented the suppression of multiple ionization and capture on the basis of geometric overlaps of cross-sectional areas representing…

Atomic Physics · Physics 2025-09-15 Hans Jürgen Lüdde , Marko Horbatsch , Tom Kirchner

Hyperspherical partial wave theory has been applied here in a new way in the calculation of the triple differential cross sections for the ionization of hydrogen atoms by electron impact at low energies for various equal-energy-sharing…

Atomic Physics · Physics 2009-11-07 J. N. Das , S. Paul , K. Chakrabarti