Electron-impact cross sections of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SiH</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>using the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>R</mml:mi></mml:math>-matrix method at low energy

Bharadvaja, Anand; Kaur, Savinder; Baluja, K. L.

doi:10.1103/physreva.91.032701

Cited by 10 publications

(5 citation statements)

References 41 publications

(68 reference statements)

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“…The correction applied directly to BF ECS is referred to as correction model 2. Correction model 2 has been applied by our group while obtaining CS from electron scattering for several molecules [51][52][53][54][55]. Both the correction models gave superimposing results, thus ruling out any deviations in Born-corrected elastic CS due to the correction model.…”

Section: Resultsmentioning

confidence: 99%

Positron-induced scattering of acetone from 0.1 eV to 5 keV

Sahgal¹,

Bharadvaja²,

Baluja³

2021

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

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Positron impact scattering cross-sections (CS) like elastic differential, integral and momentum transfer of acetone are reported in the energy range from 0.1 eV to a few keV using a cc-pVTZ basis set within single centre expansion formalism. The optimized molecular wavefunction of the target was obtained from the multi-center expansion of the Gaussian-type orbitals within a Hartree–Fock self consistent field scheme. Two different models were used to account for the long-range effects arising due to the polar nature of the target. Both the models gave overlapping ‘correction’ CS. The Born corrected elastic CS exhibit a good agreement with existing experimental results and ab initio theoretical results. The inelastic CS like positron impact excitation and ionization are also computed. The total CSs obtained by summing elastic and inelastic CS are in excellent agreement with the ‘forward angle corrected’ experimental results over the majority of the energy range. The deviations in the energy range of 3–7 eV are due to the exclusion of the positronium formation channel from the computation. A brief observation is also made about the impact of the Born closure scheme.

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Section: Resultsmentioning

confidence: 99%

Positron-induced scattering of acetone from 0.1 eV to 5 keV

Sahgal¹,

Bharadvaja²,

Baluja³

2021

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

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“…Another desirable quantity of importance in scattering is the DCS. The DCS offers a stringent test for any scattering calculation and is also required to compute diffusion cross sections [63][64][65]. The DCS for a polyatomic molecule between the initial rotor state (Jτ ) and the final rotational state (J τ ) is given by dσ dΩ (Jτ…”

Section: Single Center Expansion Methodsmentioning

confidence: 99%

Electron interactions with tetramethylsilane from the ionization threshold up to 5000 eV

Bharadvaja¹,

Bassi²,

Arora³

et al. 2021

Plasma Sources Sci. Technol.

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The electron impact cross sections are reported for tetramethylsilane from the ionization threshold up to 5000 eV. The partial ionization cross sections (PICS) of the fragments created by ionization are obtained using a modified form of the binary-encounter Bethe (BEB) model. These fragments have a mass to charge ratio (m/z) ranging from 15 to 88. In the modified-BEB approach, the binding energy of each molecular fragment is increased in such a way that the last occupied orbital reflects the appearance potential of a particular fragment. The total ionization cross sections obtained after summing the PICS are in very good agreement with the experimental results. Additionally, the cross sections such as differential, integral and momentum transfer are also reported. These are computed within the local potential approximation and invoking single centre expansion formalism. The total cross sections are obtained by incoherently summing the elastic and inelastic cross sections. The present scattering results are in excellent agreement with the experimental measurements. The modified-BEB model will be an immense help in understanding the effect of ionization on fragments.

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“…The rate coefficient has significance in the fields like plasma and astronomy and can be obtained using the cross-section data. Assuming that the given process obeys a Maxwellian distribution of energy, the rate coefficient [44,45] is obtained for an elastic process in the 12-states CC model. The results are shown in Figure 6.…”

Section: Target Description and Computational Detailsmentioning

confidence: 99%

“…The DCS are used to obtain momentum-transfer cross sections (Q m ) and higherorder collision moments [44]. When the DCS are integrated over the scattering angle, the weighted give momentum-transfer cross sections Q m :…”

Section: Target Description and Computational Detailsmentioning

confidence: 99%

“…The collision frequency is an important quantity to determine the transport properties of the electrons in ionospheric and atmospheric physics [50] and is used to obtain collision parameters like the diffusion coefficient, the electron mean-free-path, and mobility [51]. The collision frequencies like ν and ν −1 are plotted in Figure 9 assuming the Maxwell-Boltzmann distribution for the electrons for the temperature ranging from 100 K to 10,000 K [44,45,49]. Denoting σ i as the ionization cross sections for the ith-occupied molecular orbital, then the total ionization cross sections Q BEB for singly charged ions in the BEB model [52] are obtained by summing the ionization cross sections over all the occupied molecular orbitals.…”

Section: Target Description and Computational Detailsmentioning

confidence: 99%

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Elastic and Inelastic Cross Sections for Low-Energy Electron Collisions with ClF Molecule Using the R-Matrix Method

Bassi

Bharadvaja

Baluja

2022

Atoms

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The ClF molecule belongs to an interhalogen family and is important in laser physics and condensed phase molecular dynamics. The elastic and excitation scattering cross sections are obtained in a fixed nuclei approximation using the UKRmol+ codes based on R-matrix formalism. The scattering calculations were performed in the static-exchange (SE), static-exchange-plus-polarisation (SEP), and close-coupling (CC) models. Three CC models with different target states were employed, namely, the 1-state, 5-states, and 12-states. In the CC model, the target states were represented by configuration interaction (CI) wavefunctions. A good agreement of dipole and quadrupole moments of the ground state was obtained with the experimental values, which indicates a good representation of the target modelling. The study predicted the existence of a shape resonance in the SE, SEP, and 5-states CC models. This resonance vanished in the 12-states CC model. The excitation cross sections from ground to the lowest two excited states were also reported. The elastic differential and momentum transfer cross sections were obtained in the 12-states CC models. The contribution of long-range interactions to elastic scattering was included via Born closure approach. The quantities like collision frequencies and rate coefficients were also presented over a wide range of electron temperatures. The ionization cross sections were computed using the binary-encounter-Bethe (BEB) model. The results were reported in C2v point group representation.

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Electron-impact cross sections ofSiH2using theR-matrix method at low energy

Cited by 10 publications

References 41 publications

Positron-induced scattering of acetone from 0.1 eV to 5 keV

Positron-induced scattering of acetone from 0.1 eV to 5 keV

Electron interactions with tetramethylsilane from the ionization threshold up to 5000 eV

Elastic and Inelastic Cross Sections for Low-Energy Electron Collisions with ClF Molecule Using the R-Matrix Method

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