Scattering of Electrons and Positrons by Nitrogen Dioxide

IF 2.3 3区 化学 Q3 CHEMISTRY, PHYSICAL International Journal of Quantum Chemistry Pub Date : 2025-01-03 DOI:10.1002/qua.27475
Tusher Kumer, M. Shorifuddoza, Pretam K. Das, Hiroshi Watabe, Mehrdad Shahmohammadi Beni, A. K. Fazlul Haque, M. Alfaz Uddin
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Abstract

This study presents a comprehensive theoretical investigation into the scattering of electrons and positrons from nitrogen dioxide (NO2) molecules across a broad energy ranging from 1 eV to 1 MeV. The focus of the analysis encompasses a variety of cross-sections, including differential, integrated elastic, inelastic, total ionization, total, momentum transfer and viscosity. Additionally, the study explores the spin polarization effects within electron/positron-NO2 scattering events. Utilizing a combination of relativistic Dirac partial wave analysis, the independent atom model (IAM), and the screening adjusted independent atom model (IAMS), this research achieves a refined understanding of scattering mechanisms. Comparative assessments with prior theoretical and empirical findings reveal that the IAM approach yields lesser accuracy at lower energies, while maintaining commendable agreement with existing data at medium to high energies. The insights and methodologies developed herein are anticipated to contribute significantly to the advancement of future research in this domain.

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来源期刊
International Journal of Quantum Chemistry
International Journal of Quantum Chemistry 化学-数学跨学科应用
CiteScore
4.70
自引率
4.50%
发文量
185
审稿时长
2 months
期刊介绍: Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.
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