Coulomb over-the-barrier Monte Carlo simulation to probe ion-dimer collision dynamics

Iskandar, Wael; Fléchard, X.; Matsumoto, Jun; Leredde, A.; Guillous, S.; Hennecart, D.; Rangama, Jimmy; Méry, A.; Gervais, B.; Shiromaru, H.; Cassimi, A.

doi:10.1103/physreva.98.012701

Cited by 11 publications

(6 citation statements)

References 35 publications

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“…the 2p −2 process) gives rise to RCT. Our present and previous results for He 2+ and O 3+ collisions suggest that this fraction may be higher than 50%, and some of the over-thebarrier model calculations reported in [23] seem to suggest the same, but a more definitive answer is outstanding.…”

Section: Discussionsupporting

confidence: 55%

Indication of strong interatomic Coulombic decay in slow He²⁺–Ne₂ collisions

Kirchner¹

2021

J. Phys. B: At. Mol. Opt. Phys.

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Electron removal in collisions of alpha particles with neon dimers is studied using an independent-atom-independent-electron model based on the semiclassical approximation of heavy-particle collision physics. The dimer is assumed to be frozen at its equilibrium bond length and collision events for the two ion–atom subsystems are combined in an impact parameter by impact parameter fashion for three mutually perpendicular orientations. Both frozen atomic target and dynamic response model calculations are carried out using the coupled-channel two-center basis generator method. We pay particular attention to inner-valence Ne(2s) electron removal, which is associated with interatomic Coulombic decay (ICD), resulting in low-energy electron emission and dimer fragmentation. Our calculations confirm a previous experimental result at 150 keV/amu impact energy regarding the relative strength of ICD compared to direct electron emission. They further indicate that ICD is the dominant Ne+ + Ne+ fragmentation process below 10 keV/amu, suggesting that a strong low-energy electron yield will be observed in the ion–dimer system in a regime in which the creation of continuum electrons is a rare event in the ion–atom problem.

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Section: Discussionsupporting

confidence: 55%

Indication of strong interatomic Coulombic decay in slow He²⁺–Ne₂ collisions

Kirchner¹

2021

J. Phys. B: At. Mol. Opt. Phys.

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“…the 2p −2 process) gives rise to RCT. Our present and previous results for He 2+ and O 3+ collisions suggest that this fraction may be higher than 50%, and some of the over-the-barrier model calculations reported in [23] seem to suggest the same, but a more definitive answer is outstanding.…”

Section: Discussionsupporting

confidence: 54%

“…For the double ionization channel shown in figure 5(b) the shapes of all cross section curves 2 Two-electron removal from one of the two neon atoms does not have to be followed by RCT, but can also result in Ne 2+ + Ne fragmentation. Since the branching fractions of both decay modes are unknown, it seems natural to assume a 50:50 breakdown (see also the analysis presented in [23]). are similar (monotonically increasing), which reflects the impact-energy dependence of pure ionization in the energy range considered.…”

Section: Resultsmentioning

confidence: 99%

Indication of strong interatomic Coulombic decay in slow He$^{2+}$-Ne$_2$ collisions

Kirchner

2021

Preprint

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Electron removal in collisions of alpha particles with neon dimers is studied using an independentatom-independent-electron model based on the semiclassical approximation of heavy-particle collision physics. The dimer is assumed to be frozen at its equilibrium bond length and collision events for the two ion-atom subsystems are combined in an impact parameter by impact parameter fashion for three mutually perpendicular orientations. Both frozen atomic target and dynamic response model calculations are carried out using the coupled-channel two-center basis generator method. We pay particular attention to inner-valence Ne(2s) electron removal, which is associated with interatomic Coulombic decay (ICD), resulting in low-energy electron emission and dimer fragmentation. Our calculations confirm a previous experimental result at 150 keV/amu impact energy regarding the relative strength of ICD compared to direct electron emission. They further indicate that ICD is the dominant Ne + + Ne + fragmentation process below 10 keV/amu, suggesting that a strong low-energy electron yield will be observed in the ion-dimer system in a regime in which the creation of continuum electrons is a rare event in the ion-atom problem.

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“…It was argued in Refs. [6,17] that double 2p removal from one atom may result in the third observed process, RCT, but not necessarily so, since the system can also dissociate as is, giving rise to one doubly-charged and one neutral fragment. The experiment was blind to the latter channel and in the COBM calculations reported along with the measurements it was assumed that 50% of double removal from one atom will lead to RCT while the other 50% result in Ne 2+ + Ne 0 production [6].…”

Section: B Analysis Of Electronic Processes Resulting In Icd Ce and Rctmentioning

confidence: 99%

Independent-atom-model coupled-channel calculations strengthen the case for interatomic Coulomb decay as a subdominant reaction channel in slow O$^{3+}$-Ne$_2$ collisions

Bhattacharya,

Kirchner

2020

Preprint

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We report on electron removal calculations for 2.81 keV/amu Li 3+ and O 3+ ion collisions with neon dimers. The target is described as two independent neon atoms fixed at the dimer's equilibrium bond length, whose electrons are subjected to the time-dependent bare and screened Coulomb potentials of the classically moving Li 3+ and O 3+ projectile ions, respectively. Three mutually perpendicular orientations of the dimer with respect to the rectilinear projectile trajectories are considered and collision events for the two ion-atom subsystems are combined in an impact parameter by impact parameter fashion and are orientation-averaged to calculate probabilities and cross sections for the ion-dimer system. The coupled-channel two-center basis generator method is used to compute the ion-atom collision problems. We concentrate on one-electron and two-electron removal processes resulting in the Ne + (2s −1 ) + Ne 0 , Ne + (2p −1 ) + Ne + (2p −1 ), and Ne + (2p −2 ) + Ne 0 channels right after the collision, which can be associated with interatomic Coulomb decay, Coulomb explosion, and radiative charge transfer, respectively. We find that the calculated relative yields are in fair agreement with recent experimental data for O 3+ -Ne 2 collisions if we represent the projectile by a screened Coulomb potential, but disagree markedly for a bare Coulomb potential, i.e., for Li 3+ impact. In particular, our calculations suggest that interatomic Coulomb decay is a significant reaction channel in the former case only, since capture of a Ne(2s) electron to form hydrogenlike Li 2+ is unlikely.

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Coulomb over-the-barrier Monte Carlo simulation to probe ion-dimer collision dynamics

Cited by 11 publications

References 35 publications

Indication of strong interatomic Coulombic decay in slow He²⁺–Ne₂ collisions

Indication of strong interatomic Coulombic decay in slow He²⁺–Ne₂ collisions

Indication of strong interatomic Coulombic decay in slow He$^{2+}$-Ne$_2$ collisions

Independent-atom-model coupled-channel calculations strengthen the case for interatomic Coulomb decay as a subdominant reaction channel in slow O$^{3+}$-Ne$_2$ collisions

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Coulomb over-the-barrier Monte Carlo simulation to probe ion-dimer collision dynamics

Cited by 11 publications

References 35 publications

Indication of strong interatomic Coulombic decay in slow He2+ –Ne2 collisions

Indication of strong interatomic Coulombic decay in slow He2+ –Ne2 collisions

Indication of strong interatomic Coulombic decay in slow He$^{2+}$-Ne$_2$ collisions

Independent-atom-model coupled-channel calculations strengthen the case for interatomic Coulomb decay as a subdominant reaction channel in slow O$^{3+}$-Ne$_2$ collisions

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Indication of strong interatomic Coulombic decay in slow He²⁺–Ne₂ collisions

Indication of strong interatomic Coulombic decay in slow He²⁺–Ne₂ collisions