Single and multiple electron removal processes in proton–water-molecule collisions

Nonadiabatic Quantum Dynamics Predissociation of H2O+(B̃ 2B2)

“…In this context, several works [5][6][7] have estimated the branching ratios for production of the The good agreement between these semiempirical results and the experiments [9][10][11][12] indicates that the ions H + , OH + and O + are formed through a two-step mechanism that involves the ionization of H 2 O followed by the post-collisional fragmentation of H 2 O + .…”

Ionization of water molecules by proton impact: Two nonperturbative studies of the electron-emission spectra

“…However, the magnitudes of the contributions of SI and multiple electron processes to EP in Refs. [10,12] clearly disagree. In order to further discuss these results, one must take into account that, as pointed out in [12], it is difficult to compare theoretical SI cross sections with the experiments that measure the formation of different molecular cations produced in the collision.…”

“…More recently, Murakami et al [12,13] have studied H + + H 2 O collisions by employing a semiclassical treatment with a collision wave function expanded in a two-center basis set, augmented by a set of target pseudostates. These pseudostates are constructed by applying the basis generator method (BGM), where they are obtained by repeated application of the (regularized) electron-projectile interaction potential on the target orbitals (see [14] and references therein).…”

“…[9,10,12,13] provided total cross sections for both single ionization (SI) and electron production (EP) processes. EP (also called net ionization) includes all reactions where electrons are emitted, mainly SI,…”

“…Both Murakami et al [12] and Illescas et al [10] report total EP cross sections in generally good agreement with the experiments [15][16][17][18], although the maximum of the cross section in the BGM calculations appears at lower impact energy than those of different experiments and theories (continuum distorted wave eikonal initial state [3] and CTMC [10]); the BGM calculation also overestimates the experimental cross section at collision energies below 50 keV. However, the magnitudes of the contributions of SI and multiple electron processes to EP in Refs.…”