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Cross-section calculations for positron scattering from pyrimidine over an energy range from 0.1 to 10000 eV

AuthorsSanz, A.G. ; Fuss, Martina ; Blanco, F.; Mašín, Z.; Gorfinkiel, J.D.; McEachran, R.P.; Brunger, M.J.; García, Gustavo
Keywords[PACS] General theories and models of atomic and molecular collisions and interactions
[PACS] Elastic scattering
[PACS] Molecular excitation and ionization
Issue Date2013
PublisherAmerican Physical Society
CitationPhysical Review A 88: 062704 (2013)
AbstractWe report a computational investigation of positron scattering by pyrimidine (C4H4N2) in the gas phase. Integral and differential cross sections have been calculated over a broad energy range by employing two distinct ab initio quantum scattering methods: the R-matrix method and a corrected form of the independent-atom representation, at low and high energies, respectively. Since pyrimidine is a strong polar molecule further dipole-induced excitations have been calculated in the framework of the first Born approximation. Good agreement is found between the different computational models and fair agreement is found with prior experimental results. © 2013 American Physical Society.
Identifiersdoi: 10.1103/PhysRevA.88.062704
issn: 1050-2947
Appears in Collections:(CFMAC-IFF) Artículos
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