J Suárez

Classical and semi-classical treatments of Li3+, Ne10++H(1s) collisions

We perform molecular close-coupling and impact-parameter classical trajectory Monte Carlo calculations of total and partial cross sections for capture and ionization in collisions of highly charged ions on H(1s). We first consider Li3++H(1s) as a benchmark to ascertain the complementarity of the methods, and then Ne10++H(1s), which has been scarcely studied up to now, and has recently become of interest for fusion plasma research.

Recommended data for capture cross sections in B5+ + H collisions

Recommended values for state selective capture cross sections are presented for the collision B5+ + H(1s) in the energy range from 0.05 to 1000 keV amu−1. Special attention is focused on capture processes to n = 7 states of B4+, which play an important role in spectral diagnostics in fusion plasmas. In order to completely cover the intermediate impact energy domain, quantal, semi-classical and classical treatments have been employed for low, low-intermediate and intermediate-high energies, respectively. We also give some guidelines about the domain of accuracy of the methodologies employed. Additionally, preliminary cross sections of the B5+ + H(2s) collision are also provided.

Charge transfer and ionization involving Argon ions and neutral Hydrogen

A device is disclosed for reconstitution and delivery of an injectable pharmaceutical. A pharmaceutical composition such as a lyophilized drug is provided in a pressurizable fluid reservoir with a pierceable seal. A diluent may be separately provided in a syringe with a needle. When the needle is driven through the seal and the plunger is actuated, fluid from the barrel of the syringe flows into the pressurizable fluid reservoir to simultaneously pressurize the reservoir and mix the diluent with the drug. Pressurized in this manner, the reservoir can then automatically and without further user intervention push the mixture back through the needle and into the barrel of the syringe, further mixing the composition and displacing the plunger to fill the barrel with the reconstituted drug. The needle and syringe can then be detached from the reservoir with the reconstituted drug contained in the barrel and ready for injection.

Calculation of total cross sections for electron capture in collisions of Carbon ions with H(D,T)(1s)

The calculations of total cross sections of electron capture in collisions of Cq+ with H(1s) are reviewed. At low collision energies, new calculations have been performed, using molecular expansions, to analyze isotope effects. The Classical Trajectory Monte Carlo method have been also applied to discuss the accuracy of previous calculations and to extend the energy range of the available cross sections.

Total and partial charge exchange and ionization cross sections for C6+ and N7+ colliding with H(n = 1,2)

The atomic processes of charge exchange and ionization in collisions between fully ionized ions (C6+, N7+) and atomic hydrogen (H(1s), H(n = 2)) are studied theoretically in the intermediate–high collision energy range (10–500 keV amu−1). The method employed is the so-called classical trajectory Monte Carlo method.

A numerical lattice approach for ionization and capture processes in ion-H2O collisions

We present a semi-classical numerical integration method for studying electron loss processes in ion collisions with water molecules. Capture and ionization cross section are calculated in the intermediate-high energy range, and the kinetic energy distribution of the ejected electrons is analyzed. The results are compared with those obtained with a classical Monte Carlo method.

3D numerical calculation of electron capture cross sections in Be4+ + H collisions

Electron capture in Be4+ + H collisions is studied at collision energies between 1 and 100 keV/u, as a benchmark to discuss the accuracy of different theoretical approaches. Partial cross sections, obtained by solving numerically the time-dependent Schrodinger equation, are compared to the corresponding results from close-coupling and classical trajectory Monte Carlo calculations.

Ab initio description of the fragmentation of H2O+( 2B2)

A quantum-dynamical study of the fragmentation of H2O+(2B2) is carried out by using wave packet propagations on ab initio potential energy surfaces connected by nonadiabatic couplings assuming a Franck- Condon initial wave packet from the ground state of the water molecule. The simulations indicate that a conical intersection between the 2B2 and A 2A1 states of H2O+ allows the transfer of 80% of the initial wave packet within 30 fs, while the Renner-Teller coupling between the A 2A1 and B1 states determines the fragmentation branching rations in the ps timescale.

Electron capture and ionization in collisions of multiply charged ions with H(2s)

We present total cross sections for electron capture and ionization in collisions of B5+ and Ne10+with H(2s), calculated using two methods: the semiclassical close-coupling molecular formalism and the eikonal-CTMC method. We have evaluated partial cross sections for capture into excited n-levels, required in plasma diagnostics.

Semiclassical treatment of excitation and electron loss in A{sup q+}+H(1s) collisions using spherical Bessel functions

We perform monocentric close-coupling calculations to obtain partial and total cross sections for excitation and electron loss in bare A{sup q+}+H(1s) collisions, with 1{<=}q{<=}6, for intermediate (E=40 keV/amu) to high (E=7000 keV/amu) impact energies. We use underlying basis sets of even-tempered Slater-type orbitals and confined spherical Bessel functions and compare the accuracy of the cross sections derived from these two implementations. Scaling rules are then established for the partial excitation cross sections of interest in fusion plasma research. We also undertake impact parameter first-Born calculations using the spherical Bessel underlying set to compare in the course of collision the close-coupling and perturbative descriptions of the ionization process.