Positron Scattering from Pyridine and Pyrimidine

Sinha, Nidhi; Sahoo, Aloka Kumar; Antony, Bobby

doi:10.1021/acs.jpca.0c02575

Cited by 12 publications

(16 citation statements)

References 36 publications

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“…The same behavior is seen at higher energies, when comparing the results obtained with the SMC method. On the other hand, from the comparison of the present DCSs with the previous calculations for pyridine some similarities are found at scattering angles typically up to 45 deg, whereas at higher angles a significant difference in the angular behavior is found.…”

Section: Resultssupporting

confidence: 73%

Low-Energy Positron Scattering by Pyridine and Aniline

Barbosa

2022

J. Phys. Chem. A

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Calculated differential and integral cross sections for elastic scattering of low-energy positrons by pyridine and aniline are presented here. The cross sections were obtained using the Schwinger multichannel method in the static-plus polarization approximation, and the Born closure procedure was employed to account for the long-range potential due to the permanent dipole moment of the molecule. The elastic integral cross sections are compared with available theoretical and experimental data for the same molecules finding an overall good agreement. The present results are also compared with available calculated cross sections for the close-related molecules benzene and pyrimidine, where an overall similar angular behavior of the differential cross sections is found.

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Section: Resultssupporting

confidence: 73%

Low-Energy Positron Scattering by Pyridine and Aniline

Barbosa

2022

J. Phys. Chem. A

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“…However, using the SCOP method we have very recently shown that the inclusion of the rotational excitation cross section improves the result in the low-energy region. 38 Hence, we believe that the present method is reliable in the low-energy range as well, giving accurate ionization and electronic excitation cross sections. Ionization Cross Section.…”

Section: ■ Results and Discussionmentioning

confidence: 65%

“…Hence, owing to the lack of reliable data for rotational and vibrational excitation cross sections, the conclusion is incomplete in the low-energy range. However, using the SCOP method we have very recently shown that the inclusion of the rotational excitation cross section improves the result in the low-energy region . Hence, we believe that the present method is reliable in the low-energy range as well, giving accurate ionization and electronic excitation cross sections.…”

Section: Resultsmentioning

confidence: 66%

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Mean Free Paths and Cross Sections for Electron Scattering from Liquid Water

Sinha

Antony

2021

J. Phys. Chem. B

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Electron collision with liquid water is theoretically investigated and reported in this article. The range of projectile energy considered is 10−5000 eV, covering all major channels, viz., ionization, inelastic, elastic, and total scattering. The liquid phase electron charge density and static potential are generated and used in the calculation under a spherical complex optical potential formalism to achieve the goals. For the ionization channel, the complex scattering potentialionization contribution method is used. The agreement with available theoretical data is satisfactory. The study on the total electron scattering from liquid water, using a common method for elastic and inelastic cross sections, is new and requires further attempts to support the reported data.

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“…On the other hand, Antony and coworkers have produced a large quantity of electron scattering data, in particular for those molecules and radicals that are difficult to measure [135,136]. Recent calculations from this group include positron scattering from a variety of atoms and molecules [137,138] and photoionisation cross sections for polyatomic molecules [139,140]. Once these electron/positron/photon collision data are incorporated into IAMDB, it will be integrated into VAMDC.…”

Section: Iamdbmentioning

confidence: 99%

A Decade with VAMDC: Results and Ambitions

Albert

Antony

et al. 2020

Atoms

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This paper presents an overview of the current status of the Virtual Atomic and Molecular Data Centre (VAMDC) e-infrastructure, including the current status of the VAMDC-connected (or to be connected) databases, updates on the latest technological development within the infrastructure and a presentation of some application tools that make use of the VAMDC e-infrastructure. We analyse the past 10 years of VAMDC development and operation, and assess their impact both on the field of atomic and molecular (A&M) physics itself and on heterogeneous data management in international cooperation. The highly sophisticated VAMDC infrastructure and the related databases developed over this long term make them a perfect resource of sustainable data for future applications in many fields of research. However, we also discuss the current limitations that prevent VAMDC from becoming the main publishing platform and the main source of A&M data for user communities, and present possible solutions under investigation by the consortium. Several user application examples are presented, illustrating the benefits of VAMDC in current research applications, which often need the A&M data from more than one database. Finally, we present our vision for the future of VAMDC.

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Positron Scattering from Pyridine and Pyrimidine

Cited by 12 publications

References 36 publications

Low-Energy Positron Scattering by Pyridine and Aniline

Low-Energy Positron Scattering by Pyridine and Aniline

Mean Free Paths and Cross Sections for Electron Scattering from Liquid Water

A Decade with VAMDC: Results and Ambitions

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