R-matrix study of elastic and inelastic electron collisions with cytosine and thymine

Amar Dora, Lilianna Bryjko, Tanja van Mourik, Jonathan Tennyson

Research output: Contribution to journalArticlepeer-review

21 Citations (Scopus)

Abstract

Scattering calculations for low-energy electron collisions with
gas-phase DNA pyrimidine bases (cytosine and thymine) are performed using the R-matrix method. The low-lying resonant states of the anions, formed due to electron capture by the bases, are identified using different levels of theory,
including static exchange, static exchange plus polarization, and
close-coupling approximations. For both the bases, all of our scattering models
find three shape resonances of $^2A''$ ($\pi$) symmetry below 10 eV, in
accordance with other calculations and experimental observations. For both
bases good agreement is found between the observed position of the lowest
resonance and the value obtained with our best model, i.e., the uncontracted
close-coupling approximation. In addition, this model finds a fourth $^2A''$
resonance in both systems, lying in the $6-7$ eV range. No evidence is found for the presence of low-lying Feshbach resonances in either system. Quantitative integral cross sections for electronically elastic and inelastic collisions are also presented.

Original languageEnglish
Article number175203
Number of pages9
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Volume45
Issue number17
Early online date9 Aug 2012
DOIs
Publication statusPublished - 14 Sept 2012

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