Calculations of Cross-Sections for Positron Scattering on Benzene
Source abstract
Abstract
In this work, we present a theoretical study on positron scattering by benzene molecules over a broad energy range (1–1000 eV). The aim of this work is to provide missing data from partial cross-sections for specific processes. In particular, calculations of cross-sections for direct ionization and electronic excitation were carried out for benzene molecules in the gas phase. An estimate for the cross-section for positronium formation is obtained from a comparison with the total cross-section from experiments. Theoretical methodologies used in the study for partial ionization cross-section calculations are based on the binary-encounter Bethe model and take into account an extension of the Wannier theory. The total cross-section shows good agreement with experimental data.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Muon and positron interactions and applications · Atomic and Molecular Physics · Neutrino Physics Research
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, 80-233 Gdańsk, Poland
Advanced Materials Center, Gdańsk University of Technology, 80-233 Gdańsk, Poland
Funding
computer center WCSS (Wroclawskie Centrum Sieciowo-Superkomputerowe, Politechnika Wroclawska)
References (46)
Show source-provided references
1. Positronium Physics and Biomedical Applications10.1103/RevModPhys.95.021002 ↗
2. Dryzek, J. (2023). Positron Profilometry Probing Material Depths for Enhanced Understanding, Springer. [1st ed.].10.1007/978-3-031-41093-2 ↗
3. Identification of lead vacancy defects in lead halide perovskites10.1038/s41467-021-25937-1 ↗
4. The 511 keV emission from positron annihilation in the Galaxy10.1103/RevModPhys.83.1001 ↗
5. Gamma Rays from the Galactic Bulge and Large Extra Dimensions10.1103/PhysRevLett.92.111102 ↗
6. MeV Dark Matter: Has It Been Detected?10.1103/PhysRevLett.92.101301 ↗
7. Positrons in the universe10.1016/j.nimb.2004.03.058 ↗
8. Towards Understanding the Origin of Cosmic-Ray Positrons10.1103/PhysRevLett.122.041102 ↗
9. Microquasars as sources of positron annihilation radiation10.1051/0004-6361:20065240 ↗
10. Positron annihilation on polycyclic aromatic hydrocarbon molecules in the interstellar medium10.1111/j.1365-2966.2009.15954.x ↗
11. Low-energy positron interactions with atoms and molecules10.1088/0953-4075/38/6/R01 ↗
12. Dapor, M. (2023). Transport of Energetic Electrons in Solids, Springer. [3rd ed.].10.1007/978-3-031-37242-1 ↗
13. A Monte Carlo strategy to simulate positrons and positronium in biological materials10.5604/01.3001.0054.1822 ↗
14. Positron Scattering from Molecules: An Experimental Cross Section Compilation for Positron Transport Studies and Benchmarking Theory10.1063/1.4982827 ↗
15. Positronium as a biomarker of hypoxia10.1515/bams-2021-0189 ↗
16. Developing a Novel Positronium Biomarker for Cardiac Myxoma Imaging
17. Total cross section measurements for positron and electron scattering on benzene molecules10.1088/0953-4075/21/20/003 ↗
18. Comparative study of electron and positron scattering from benzene (C6H6) and hexafluorobenzene (C6F6) molecules10.1103/PhysRevA.68.032707 ↗
19. Total cross sections for positron scattering on benzene and nitrogen
20. Total cross sections for positron scattering on benzene - angular resolution corrections10.1016/j.nimb.2007.12.027 ↗
21. Total cross sections for positron scattering from benzene, cyclohexane, and aniline10.1103/PhysRevA.76.022708 ↗
22. Contrasting low-energy behaviour in total cross sections for electron and positron scattering from benzene molecules10.1088/0953-4075/37/7/007 ↗
23. Low-energy positron dynamics in small hydrocarbon gases10.1088/0953-4075/36/7/308 ↗
24. Low-energy positron scattering from gas-phase benzene10.1140/epjd/e2019-100058-5 ↗
25. Positron Scattering and Annihilation in Organic Molecules10.5506/APhysPolB.51.207 ↗
26. Theoretical study on positron scattering by benzene over a broad energy range10.1103/PhysRevA.100.042705 ↗
27. Electronic excitation of C6H6 by positron impact10.31349/RevMexFis.67.188 ↗
28. Binary-encounter dipole model for positron-impact direct ionization10.1103/PhysRevA.100.062702 ↗
29. Franz, M., Wiciak-Pawlowska, K., and Franz, J. (2021). Binary-encounter model for direct ionization of molecules by positron-impact. Atoms, 9.10.3390/atoms9040099 ↗
30. Scaled Born cross sections for excitations of H2 by electron impact10.1063/1.2434163 ↗
31. Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Petersson, G.A., and Nakatsuji, H. (2016). Gaussian 16, Revision C.01, Gaussian Inc.
32. Density-functional thermochemistry. III. The role of exact exchange10.1063/1.464913 ↗
33. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density10.1103/PhysRevB.37.785 ↗
34. Self-Consistent Molecular Orbital Methods. 20. Basis set for correlated wave-functions10.1063/1.438955 ↗
35. Binary-encounter-dipole model for electron-impact ionization10.1103/PhysRevA.50.3954 ↗
36. New model for electron-impact ionization cross sections of molecules10.1063/1.471116 ↗
37. The Threshold Law for Single Ionization of Atoms or Ions by Electrons10.1103/PhysRev.90.817 ↗
38. Absolute cross sections for positron impact ionization of hydrogen near threshold10.1103/PhysRevA.79.022704 ↗
39. Recommended positron scattering cross sections for atomic systems10.1063/1.5089638 ↗
40. Two-center close-coupling calculations for positron-molecular-hydrogen scattering10.1103/PhysRevA.92.032707 ↗
41. Ordering of Wave Functions and Eigenenergies to the Individual Electrons of an Atom10.1016/S0031-8914(34)90011-2 ↗
42. Computational methods for the one-particle Green’s function10.1016/0167-7977(84)90002-9 ↗
43. Valence Electron Spectra of Benzene and the Hexafluorides of Sulphur, Molybdenum, Tungsten and Uranium10.1088/0031-8949/14/5/007 ↗
44. The theory of electron—Molecule collisions10.1103/RevModPhys.52.29 ↗
45. Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster configuration interaction method10.1002/jcc.20555 ↗
46. Total and positronium formation cross-sections in polyatomic molecules10.1016/S0168-583X(00)00242-1 ↗