Rotational excitation of H2 by positron impact in adiabatic rotational approximation

Zanin, G. L.; Tenfen, Wagner; Arretche, Felipe

doi:10.1140/epjd/e2016-70103-0

Cited by 11 publications

(8 citation statements)

References 45 publications

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“…As assumed in previous works, 37,57,83 a given basis is considered reliable if the annihilation parameter Z eff gets closer to the atomic number Z of the target when the trial basis set mimics the first born approximation and also when the cross sections converge compared to the method of calculation of the Green's function. When both criteria are satisfied, similar results are usually obtained, starting from completely different Gaussian basis sets.…”

Section: The Journal Ofmentioning

confidence: 99%

“…In particular, we applied the SMC for positrons. The original presentation of the method is given by Germano and Lima, but discussions on the details of the method and its implementation can be found in other works (refs and ). Once the scattering wave function is expanded in a trial basis set of the form false| Ψ k⃗ i ( + ) false( ( r⃗ j ) , x⃗ false) ⟩ = ∑ ν a 0 ν P ( k⃗ i ) normalΦ 0 ( r⃗ j ) φ ν ( x⃗ ) goodbreak+ ∑ μ ≠ 0 , ν a μ ν Q ( k⃗ i ) normalΦ μ ( r⃗ j ) φ ν ( x⃗ ) ≡ ∑ μ ν a μ ν …”

Section: Theoretical Approachesmentioning

confidence: 99%

“… a This set is based on the basis given by Dunning and Maroulis and Thakkar . For F 2 , it is formed by 72 contracted Gaussian functions, which is a relatively small basis when compared to applications of SMC for similar systems …”

Section: Numerical Detailsmentioning

confidence: 99%

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Low Energy Positron Scattering by F and F₂

2022

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We have determined integral and differential elastic cross sections for positron scattering with atomic F and F2 molecules from 0.01 to 1000 eV with different theoretical approaches. Higher order polarizabilities were successively considered in the scattering potential, and we observed that the differential and integral cross sections converge only when the pure dipole second hyperpolarization level is taken into account, demonstrating the importance of the hyperpolarization effects on the low energy positron scattering dynamics. Ramsauer structures were found for both targets, and in the particular case of the F atom, the effect of its quadrupole moment proved to be relevant around the position of the Ramsauer minimum, which was determined together with the scattering length for each of the adopted polarization schemes. A relation of these quantities with the matching radius between the correlation and polarization interactions is also discussed. Agreement between the model potential and ab initio cross sections for the lowest level of target polarization is found for F2. Since there is no previous theoretical or experimental determination of cross sections for these targets, we compared the differential cross sections of F2 with experimental data available for N2 and O2 and found reasonable agreement.

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Section: The Journal Ofmentioning

confidence: 99%

Section: Theoretical Approachesmentioning

confidence: 99%

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Low Energy Positron Scattering by F and F₂

2022

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“…The quadrupole moment of −0.937

{ea}_{0}^{2}

is also in agreement with previous theoretical [64, 65] and experimental [66] values. In the H 2 case, we have used basis set B from Zanin et al [67] in our UHF calculation. These authors presented a complete analysis regarding molecular property values.…”

Section: Theorymentioning

confidence: 99%

Young‐type interference in soft lepton scattering of diatomic homonuclear molecules

Barp

Arretche

2022

Int J of Quantum Chemistry

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Interference patterns in the scattering of positrons and electrons by diatomic homonuclear molecules are ab initio calculated. Our results are compared to model potential calculations with incident particles in twisted and plane wave states. All calculations are obtained in the first Born approximation framework. The comparison of the elastic differential cross sections shows how an ab initio description of the electronic molecular structure influence the interference minima structure. The origin of such patterns is also discussed.

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“…Alves et al [17], within the relevance of modelling oxygen-containing plasmas, reported on the presentation and validation of electron scattering cross sections, with atomic and molecular oxygen in the ground-state and excited states. Rotational excitation of H 2 by positron impact in adiabatic rotational approximation was presented by Zanin et al [18] whereas the structure and dynamics of near-threshold electrons: scattering and bound states driven by dipolar interactions with polyatomic molecules has been reported by Carelli and Gianturco [19]. Rankovic et al [20] reported the design and performance of an instrument for electron impact tandem mass spectrometry and action spectroscopy of mass/charge selected macromolecular ions stored in RF ion trap.…”

Section: New Scientific Insightsmentioning

confidence: 99%

Advances in positron and electron scattering*

et al. 2016

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Abstract. The topical issue on Advances in Positron and Electron Scattering" combines contributions from POSMOL 2015 together with others devoted to celebrate the unprecedented scientific careers of our loyal colleagues and trusted friends Steve Buckman (Australian National University, Australia) and Michael Allan (University of Fribourg, Switzerland) on the occasion of their retirements. POSMOL 2015, the XVIII International Workshop on Low-Energy Positron and Positronium Physics and the XIX International Symposium on Electron-Molecule Collisions and Swarms, was held at Universidade NOVA de Lisboa, Lisboa, Portugal, from 17-20 July 2015. The international workshop and symposium allowed to achieve a very privileged forum of sharing and developing our scientific expertise on current aspects of positron, positronium and antiproton interactions with electrons, atoms, molecules and solid surfaces, and related topics, as well as electron interactions with molecules in both gaseous and condensed phases. Particular topics include studies of electron interactions with biomolecules, electron induced surface chemistry and the study of plasma processes. Recent developments in the study of swarms are also fully addressed.

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Rotational excitation of H2 by positron impact in adiabatic rotational approximation

Cited by 11 publications

References 45 publications

Low Energy Positron Scattering by F and F₂

Low Energy Positron Scattering by F and F₂

Young‐type interference in soft lepton scattering of diatomic homonuclear molecules

Advances in positron and electron scattering*

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Rotational excitation of H2 by positron impact in adiabatic rotational approximation

Cited by 11 publications

References 45 publications

Low Energy Positron Scattering by F and F2

Low Energy Positron Scattering by F and F2

Young‐type interference in soft lepton scattering of diatomic homonuclear molecules

Advances in positron and electron scattering*

Contact Info

Product

Resources

About

Low Energy Positron Scattering by F and F₂

Low Energy Positron Scattering by F and F₂