Electron impact excitation of molecules: Calculation of the cross section using the similarity function method and ab initio data for electronic structure

Адамсон, С. О.; Astapenko, V. A.; Deminskii, M. A.; Елецкий, А. В.; Потапкин, Б. В.; Sukhanov, L. P.; Zaitsevskii, Andréi

doi:10.1016/j.cplett.2007.01.057

Cited by 14 publications

(16 citation statements)

References 17 publications

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“…whose parameters a~0.5 and b~3.0 have been optimized so as to fit experimental data for a large number of atomic and molecular systems [22]. Like in other semi-classical approaches, the state-to-state cross section of Eq.…”

Section: Theoretical Approachmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Physics of Elementary Processes Relevant to Hypersonics: Electron-Molecule Collisions

Celiberto¹,

Laporta²,

Laricchiuta³

et al. 2014

TOPPJ

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Non-resonant, electron-impact, vibro-electronic excitation cross sections, involving vibrationally excited N 2 molecules, to the mixed valence-Rydberg b,c,o+ singlet states are presented. These cross sections are calculated using the so-called similarity approach, accounting for the vibronic coupling among excited states, and compared with the experiments and different theoretical calculations.New cross sections for the electron-impact resonant vibrational excitation of CO 2 molecule are calculated, for the symmetric stretching mode, as a function of the incident electron energy and for the transitions (υ i ,0,0) → (υ f ,0,0) with υ i = 0,1,2 and for some selected value of υ f in the interval υ i ≤ υ f ≤ 10. A resonance potential curve and associated widths are calculated using the R-matrix method. Rate coefficients, calculated by assuming a Maxwellian electron energy distribution function, are also presented for the same (υ i ,0,0) → (υ f ,0,0) transitions.Electron-impact cross sections and rate coefficients for resonant vibrational excitations involving the diatomic species N 2 , NO, CO, O 2 and H 2 , for multi-quantic and mono-quantic transitions, are reviewed along with the cross sections and rates for the process of the dissociative electron attachment to H 2 molecule, involving a Rydberg excited resonant state of the ion.

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Section: Theoretical Approachmentioning

confidence: 99%

“…The electron-impact induced vibronic transitions were calculated in the frame of the similarity approach [22], that allows a simplified expression for the state-to-state cross section, i.e.…”

Section: Theoretical Approachmentioning

confidence: 99%

Molecular Physics of Elementary Processes Relevant to Hypersonics: Electron-Molecule Collisions

Celiberto¹,

Laporta²,

Laricchiuta³

et al. 2014

TOPPJ

View full text Add to dashboard Cite

show abstract

“…These simplified theoretical approaches are even nowadays attractive offering the advantage of low‐computational demand in the derivation of complete sets of state‐to‐state cross sections, the dynamical information being characterized by a reasonable accuracy when compared with experiments and accurate scattering theories . More recently novel approaches have been proposed in literature, the BE f ‐scaling method, demonstrating that theoretical Born results, known to overestimate the cross section, could be brought in a fairly good agreement with experiments by a simple rescaling procedure, and the semi‐empirical similarity approach, both methods funded on the idea that the excitation cross section in allowed transitions is governed by the optical oscillator strengths.…”

Section: Introductionmentioning

confidence: 99%

“…In the frame of the similarity approach , a simplified expression is assumed for the state‐to‐state cross section of electron‐impact induced vibronic transitions, i.e.,

σ_{v^{'} v^{″}} = \frac{2 π}{{(normalΔ E_{v^{'} v^{″}})}^{2}} f_{v^{'} v^{″}} φ (x)

where

Δ E_{v^{'} v^{″}}

is the transition energy,

f_{v^{'} v^{″}}

is the oscillator strength for the vibronic transition, φ ( x ) is the so‐called similarity function , a universal function of the reduced incident electron energy

x = E / Δ E_{v^{'} v^{″}}

, describing the collision dynamics,

φ true(x true) = \frac{\ln (1 + a \sqrt{x - 1})}{x + b}

whose parameters a ∼ 0.5 and b ∼ 3.0 have been optimized so as to fit experimental data.…”

Section: Introductionmentioning

confidence: 99%

Calculation of Electron‐Scattering Cross Sections Relevant for Hypersonic Plasma Modeling

Laricchiuta

Celiberto

Capitelli

et al. 2016

Plasma Processes & Polymers

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Electron‐impact induced, optically allowed excitations to the B 2Π and C 2Π states in NO molecule are considered in the framework of the similarity approach, accounting for the non‐adiabatic vibronic coupling perturbing the vibrational progression in the excited states. A model for the coupling is proposed from ab initio electronic structure calculations and theoretical oscillator strengths and Einstein coefficients are estimated for its validation. State‐to‐state and total cross sections are derived and, for the transition from the v″ = 0 level of the ground state, similarity results well compare with available experiments.

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“…Recently, the similarity approach (Adamson et al 2007) has been applied to the investigation of electron impact vibronic excitation transitions to the main excitation channels. The theoretical method allows a simplified expression for the state-to-state crosssection…”

mentioning

confidence: 99%

Molecular physics and kinetics of high-temperature planetary atmospheres

Capitelli

Bruno

Colonna

et al. 2011

Rend. Fis. Acc. Lincei

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The space exploration is nowadays assisted by realistic modeling of re-entry conditions of space vehicles in planetary atmospheres, for the design of thermal protection systems. The detailed kinetic modeling relies on the accurate description of elementary process dynamics, including the role of the excitation of the internal degrees of freedom of chemical species. Efforts in the construction of a complete and consistent dynamical information are presented, focusing on hydrogen plasmas relevant to the Jupiter atmosphere. Examples of numerical experiments are given, emphasizing the relevance of the adopted state-to-state approach in reproducing the onset of non-equilibrium internal distributions governing the plasma system evolution.

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Electron impact excitation of molecules: Calculation of the cross section using the similarity function method and ab initio data for electronic structure

Cited by 14 publications

References 17 publications

Molecular Physics of Elementary Processes Relevant to Hypersonics: Electron-Molecule Collisions

Molecular Physics of Elementary Processes Relevant to Hypersonics: Electron-Molecule Collisions

Calculation of Electron‐Scattering Cross Sections Relevant for Hypersonic Plasma Modeling

Molecular physics and kinetics of high-temperature planetary atmospheres

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