Charge Transfer Calculations and Database for Astrophysics

Astronomy and Astrophysics – Astrophysics

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Scientific paper

A variety of theoretical approaches, having different but overlapping energy ranges of applicability, are applied to investigate charge transfer processes for collisions of atomic ions with atoms and molecules. The methods include quantal molecular-orbital close-coupling, classical trajectory Monte Carlo, and continuum distorted wave methods. Recent collision systems studied include S4+ + H, S4+ + He, N7+ + He, H2O, CO and CO2, Oq+(q = 1 - 8) + H, H2, and Sq+(q = 1 - 16) + H2. The database effort is concentrating on astrophysically important reactions of atomic ions Xq+(X = H -Zn, q = 1 - 4, and selected higher charges) with H, He, various metal atoms, H2, and other selected molecular targets. Existing data, much of it produced by us, have been compiled and critically evaluated. Data for many reactions mission in the literature are estimated using the multichannel Landau-Zener approximation. Fits to cross sections and rate coefficients using standard functions are provided as well as tabulations of the raw data. The database is available on the World Wide Web at cfadc.phy.ornl.gov/astro/ps/data.

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