Electronic excitation of benzene by low energy electron impact and the role of higher lying Rydberg states

Falkowski, Alan Guilherme; Costa, Romarly F. da; Kossoski, Fábris; Brunger, M. J.; Lima, Marco A. P.

doi:10.1140/epjd/s10053-021-00326-x

Cited by 5 publications

(30 citation statements)

References 73 publications

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“…Bazante et al [32] carried out an ab initio model of the E 2u shape resonance of benzene, finding its resonance energy E 0 at ≈ 1.6 eV. Most recently, Falkowski et al [33] theoretically investigated elastic and electronically inelastic DCSs for benzene. They employed the SMC method to carry out scattering calculations, finding their elastic DCSs to be in good agreement with Cho et al measurements from 15 eV to 30 eV, though discrepancies remain at lower and higher E 0 .…”

Section: Introductionmentioning

confidence: 99%

“…This effect is often referred to as convergence of the multichannel coupling. More recently, owing to improvements in the computational code and the description of target states [42], it has been possible to significantly increase the number of open channels in scattering calculations with the SMC method, reaching a record of 431 for ethanol [42] and of 305 for benzene [33]. In these two recent applications [33,42], and also for formic acid [41], first indications of an interesting behavior showed up.…”

Section: Introductionmentioning

confidence: 99%

“…More recently, owing to improvements in the computational code and the description of target states [42], it has been possible to significantly increase the number of open channels in scattering calculations with the SMC method, reaching a record of 431 for ethanol [42] and of 305 for benzene [33]. In these two recent applications [33,42], and also for formic acid [41], first indications of an interesting behavior showed up. In some cases, the computed elastic cross sections actually decreased "too much" when opening more channels, appearing below the experiment, inspiring important questions regarding the SMC method.…”

Section: Introductionmentioning

confidence: 99%

“…First, where should the infinite Rydberg series be truncated in order to obtain reasonably converged cross sections (with respect to the inclusion of additional Rydberg states)? Initial efforts to address this question were undertaken in a preliminary study [33], which is expanded here by consideration of additional and more elaborate scattering models. A major limitation of the SMC formalism concerns the ionization channels.…”

Section: Introductionmentioning

confidence: 99%

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Cross sections for elastic electron scattering by benzene at low and intermediate energies

Cadena

Falkowski²,

Pocoroba³

et al. 2022

Phys. Rev. A

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We present experimental and theoretical differential cross sections for elastic electron scattering from benzene. The present experimental results are obtained at incident electron energies ranging from 1 eV to 50 eV and for scattering angles from 10 • to 130 • . The experimental measurements are compared to available results from 1 eV to 10 eV, and to new theoretical results from 10 eV to 50 eV, both based on the Schwinger multichannel (SMC) method. Different electron scattering calculations were carried out, by employing varying basis sets and multichannel coupling schemes. This allowed us to (i) obtain relatively converged cross sections with respect to the inclusion of Rydberg excited states, (ii) observe significant variations in the forward scattering as a function of the multichannel coupling scheme, and (iii) explore possible effects stemming from states lying above the ionization threshold. Overall, the agreement between experiments and models is found to be very good to excellent. The remaining discrepancies point out directions in which the SMC method should be improved.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Cross sections for elastic electron scattering by benzene at low and intermediate energies

Cadena

Falkowski²,

Pocoroba³

et al. 2022

Phys. Rev. A

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“…García-Abenza and co-workers [16] reported on a complete data set for the simulation of electron transport through gaseous tetrahydrofuran in the energy range 1-100 eV as a significant attempt to understand radiation damage in biological related molecules particle track simulations, whilst Randi et al [17] described elastic, electronically inelastic, total ionization and total cross sections for the scattering of electrons by trans-formic acid. Falkowski et al [18,19], within the relevance of a model potential for computing total ionization cross sections of atoms and molecules by electron impact, reported on hydrogen, carbon, nitrogen and oxygen atoms and for hydrogen, nitrogen, water, methane and benzene molecules. For benzene, they calculated differential and integral cross sections for elastic and electronic excitation, as well as total cross sections, for electron scattering at impact energies in the 10-50 eV range.…”

Section: New Scientific Insightsmentioning

confidence: 99%

Molecular collisions, photoionization and dynamics: honouring Professor Vincent McKoy

et al. 2022

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The topical issue "Advances on Molecular Collisions, Photoionization and Dynamics" encompasses a set of theoretical and experimental contributions honouring the unprecedented scientific career of our loyal colleague and trusted friend the late Professor Vincent McKoy. He has been a pioneer in implementing ab initio electron-molecule scattering and molecular photoionization theoretical methods, alongside with his collaborations across the globe, having contributed to different research fields that are now well-established and where he leaves a strong scientific legacy as noted by the testimony of his long-lasting collaborator, Carl Winstead. The contributions hereafter are related to the most recent achievements in electron interactions with molecules and molecular ions as a function of phase and stage of aggregation as well as key aspects of photoionization mechanisms therein. Particular topics include studies of photon and electron interactions (excitation, ionization and attachment) with biological, technological, astrophysical and aeronomic relevant molecules, electron transport phenomena and electron induced surface chemistry. Theoretical aspects of model potentials and molecular processes including nonadiabatic chemical reactions are also addressed in this special occasion.

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Evaluated electron scattering cross section dataset for gaseous benzene in the energy range 0.1–1000 eV

García-Abenza

Lozano

Álvarez

et al. 2023

Phys. Chem. Chem. Phys.

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Electronic excitation of benzene by low energy electron impact and the role of higher lying Rydberg states

Cited by 5 publications

References 73 publications

Cross sections for elastic electron scattering by benzene at low and intermediate energies

Cross sections for elastic electron scattering by benzene at low and intermediate energies

Molecular collisions, photoionization and dynamics: honouring Professor Vincent McKoy

Evaluated electron scattering cross section dataset for gaseous benzene in the energy range 0.1–1000 eV

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