An independent-atom-model description of ion-molecule collisions including geometric screening corrections

作者：Luedde Hans Juergen; Achenbach Alexander; Kalkbrenner Thilo; Jankowiak Hans Christian; Kirchner Tom^*

来源：European Physical Journal D, 2016, 70(4): 82.

DOI：10.1140/epjd/e2016-70097-5

A new model to account for geometric screening corrections in an independent-atom-model description of ion-molecule collisions is introduced. The ion-molecule cross sections for net capture and net ionization are represented as weighted sums of atomic cross sections with weight factors that are determined from a geometric model of overlapping cross section areas. Results are presented for proton collisions with targets ranging from diatomic to complex polyatomic molecules. Significant improvement compared to simple additivity rule results and in general good agreement with experimental data are found. The flexibility of the approach opens up the possibility to study more detailed observables such as orientation-dependent and charge-state-correlated cross sections for a large class of complex targets ranging from biomolecules to atomic clusters.

• 出版日期2016-4-12