roton-Induced Multiple-Electron Processes of Pyrimidine

TEREKHIN, P N; M. A. QUINTO; J.M. MONTI; O.A. FOJÓN; R. D. RIVAROLA

Lisbon

Conferencia; 19th International Conference Physics of Highly Charged Ions; 2018

Interaction of charged particles with molecular targets is of fundamental interest in nowadays investigations such as plasma physics [1], thermonuclear fusion [2] and others. In particular, collisions between fully stripped ions and macromolecules of DNA and RNA are of great attention in biology and medicine [3]. Different charge states of the projectile and residual target may be produced in these reactions. Therefore, it is important calculate pure ionization, capture and transfer-ionization reactions as to shed light on the basic mechanisms in multiple-electron processes as to evaluate fragmentation patterns.The interest of the present contribution is concentrated on theoretical calculations of cross sections for single- and multiple-electron ionization, electron capture and transfer-ionization reactions of pyrimidine (C4H4N2) molecules interacting with protons. To the best of our knowledge, this is the first report describing multiple-electron processes for the proton-pyrimidine system. Transition probabilities (capture and ionization) as a function of the impact parameter and absolute cross sections for the considered collisions have been calculated using the three-body Continuum Distorted Wave-Eikonal Initial State approximation (3B-CDW-EIS) [4]. The initial wavefunctions of the active electrons bound to a particular water molecular orbital are described employing the complete neglect of the differential overlap (CNDO) approximation [5, 6]. A statistical multinomial distribution has been employed to calculate multiple-electron probabilities.The results have been analyzed and compared with other theoretical investigations and available experimental data. Finally, we note that the present approach may be used as a basis for obtaining multiple electron processes cross sections for targets such as macromolecules of DNA and RNA to model scenarios for the radiobiological consequences of the impact of charged energetic particles on those macromolecules.