Positron Scattering from Methyl Halides

Sinha, Nidhi; Modak, Paresh; Singh, Shailendra; Antony, Bobby

doi:10.1021/acs.jpca.7b11326

Cited by 11 publications

(13 citation statements)

References 46 publications

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“…For most of the systems, satisfactory results were achieved with good corroboration from experimental data. 27 However, we found that, as the size of the molecule increases, our cross section starts overestimating other available data in the literature. This owes to the adoption of the multiscattering approach to encompass the molecular structure under which the molecule is divided into different scattering centers, and the cross section from each center is added to get the molecular cross section.…”

Section: ■ Introductioncontrasting

confidence: 50%

Low-Energy Electron Scattering from Dimethyl Ether

Sinha

Antony

2020

J. Phys. Chem. A

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Low-energy (0.1 to 15 eV) R-matrix calculation is performed for dimethyl ether molecule. Electronic excitation and momentum transfer cross section for low energies are reported for the first time. Present differential cross sections show good agreement with previous data in terms of shape but are significantly higher in magnitude. Apart from low energies, we have also performed high-energy calculation (11−5000 eV) using spherical complex optical potential formalism. To deal with the molecular nature of the present target, we have applied an effective potential method in our computation for the first time. Good consistency can be seen at the overlapping energies of the two calculations.

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Section: ■ Introductioncontrasting

confidence: 50%

Low-Energy Electron Scattering from Dimethyl Ether

Sinha

Antony

2020

J. Phys. Chem. A

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Section: Resultsmentioning

confidence: 99%

“…We have carried out the computation of elastic and grand total cross sections for the astrophysical molecules, namely H 2 O, N H 3 , HCl, OCS and SO 2 using the modified SCOP formalism. [64][65][66] The cross sections obtained are compared with the existing data in the literature. For TCS, our results show a fair comparison with the experimental measurements, although not corrected for forward angle scattering effect.…”

Section: Discussionmentioning

confidence: 99%

Positron Scattering: Total Elastic and Grand Total Cross Sections for Molecules of Astrophysical Importance

2019

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Spherical complex optical potential (SCOP) method, appropriately modified by our group for positron scattering, is employed to compute total elastic and grand total cross sections for astrophysical molecules. The cross sections for the present targets, viz. H2O, NH3, HCl, OCS and SO2 are reported for a wide energy range, spanning from 1 eV to 5000 eV. The elastic cross sections for HCl and OCS are reported for the first time. In the intermediate to high energy regime, results of most of the targets studied compare fairly well with the recent measurements, wherever available. Present cross sections would be useful for modelling astrophysical systems.

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“…We have applied the SCOP method 24 to calculate the differential and integral cross-sections. Using this method, the interaction potential is represented in two parts: real and imaginary.…”

Section: ■ Theoretical Methodologymentioning

confidence: 99%

“…Now, R is determined by imposing boundary conditions. 24 This way, Q ion can be extracted from Q in . Once Q ion is obtained, electronic excitation cross-section Q elec,exc can be easily computed.…”

Section: The Journal Of Physical Chemistrymentioning

confidence: 99%

Positron Scattering from Pyridine and Pyrimidine

2020

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Positron impact scattering cross-sections for pyridine and pyrimidine are reported here. Spherical complex optical potential formalism is used to calculate the positronium formation, elastic, total, and differential cross-sections. The ionization cross-sections calculated here are obtained employing the complex scattering potentialionization contribution method. To account for the complex molecular structure of the target, an effective potential method is employed in our formalism for the first time. The contribution from rotational excitation is also included, which shows a reasonable comparison with the experimental data. The results obtained using the modified approach are encouraging and show very good agreement with the measurements. The differential cross-section for pyridine is reported for the first time.

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Positron Scattering from Methyl Halides

Cited by 11 publications

References 46 publications

Low-Energy Electron Scattering from Dimethyl Ether

Low-Energy Electron Scattering from Dimethyl Ether

Positron Scattering: Total Elastic and Grand Total Cross Sections for Molecules of Astrophysical Importance

Positron Scattering from Pyridine and Pyrimidine

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