Calculation of Ionization, Excitation and Electron Capture Cross Sections for Be +H(2s, 2p) Collisions.

A computational study of Be +H(2s, 2p) collisions has been carried out employing the Classical Trajectory Monte Carlo (CTMC) method for the impact energy range from 20 keV/u to 1000 keV/u. The integral n partial cross sections for H(n) excitation and Be (n) electron capture and, the total ionization and electron capture cross sections are calculated and compared to recent semiclassical results. A general good agreement is observed for the n partial and total electron capture and ionization cross sections.

Charge Transfer and Electron Production in Proton Collisions with Uracil: A Classical and Semiclassical Study.

Cross sections for charge transfer and ionization in proton-uracil collisions are studied, for collision energies 0.05 View Article and Find Full Text PDF

A classical and semiclassical study of collisions between X ions and water molecules.

Collisions of He, Li and C ions with water molecules are studied at energies ranging between 20 keV u and 500 keV u. Three methods are employed: the classical trajectory Monte Carlo (CTMC), the expansion of the scattering wave function in terms of asymptotic frozen molecular orbitals (AFMO) and a lattice method to numerically solve the time-dependent Schrödinger equation (GridTDSE). Total cross sections for single ionization, single electron capture, transfer ionization and electron production are calculated and compared with previous close-coupling calculations and experiments.

Ionization and Single and Double Electron Capture in Proton-Ar Collisions.

Total cross sections for formation of H and H, and electron production, in H + Ar collisions have been calculated at energies between 100 eV and 200 keV by employing two methods: for E < 10 keV, a semiclassical treatment with an expansion in a basis of electronic wave functions of the ArH quasimolecule and, for E > 10 keV, the switching-classical-trajectory-Monte Carlo method (s-CTMC). The semiclassical calculation involves transitions to molecular autoionizing states, calculated by applying a block-diagonalization technique. The s-CTMC method is adept to treat two-electron processes and yields total cross sections for H formation in reasonably good agreement with the experimental data.

Ionization and electron capture in ion-molecule collisions: classical (CTMC) and semiclassical calculations.

Total cross-sections for electron capture and electron production in proton collisions with N2, CO and H2O, are evaluated using a classical trajectory Monte Carlo treatment for collision energies between 30 and 3000 keV. A semiclassical close-coupling treatment has been also employed for proton collisions with H2O, to discuss the accuracy of the CTMC treatment. Singly differential cross-sections for electron production have been also evaluated.

Influence of nuclear exchange on nonadiabatic electron processes in H(+)+H2 collisions.

H(+)+H(2) collisions are studied by means of a semiclassical approach that explicitly accounts for nuclear rearrangement channels in nonadiabatic electron processes. A set of classical trajectories is used to describe the nuclear motion, while the electronic degrees of freedom are treated quantum mechanically in terms of a three-state expansion of the collision wavefunction. We describe electron capture and vibrational excitation, which can also involve nuclear exchange and dissociation, in the E = 2-1000 eV impact energy range.