A molecular representation of Al(3+) + H charge-transfer reactions

Details A molecular representation of Al(3+) + H charge-transfer reactions A molecular representation of Al(3+) + H charge-transfer reactions

Dec 1986

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1986jchph..85.6420k&link_type=abstract

Journal of Chemical Physics (ISSN 0021-9606), vol. 85, Dec. 1, 1986, p. 6420-6424. DOE-supported research.

Mathematics

2

Aluminum, Charge Transfer, Hydrogen Atoms, Ionic Reactions, Molecular Collisions, Configuration Interaction, Controlled Fusion, Differential Equations, Hamiltonian Functions, Matrices (Mathematics), Molecular Trajectories, Potential Energy, Stellar Physics

Scientific paper

The charge-transfer reaction Al(3+) + H yields Al(2+) + H(+) is characterized by means of ab initio CI calculations for barycentric collision energies 10-1000 eV/amu. The potential-energy curves of the four lowest 2Sigma(+) states of AlH(3+) are calculated; radial and dipole coupling elements between three of the four states are determined using a method (Butler, 1979 and 1981) based on the Hellman-Feynman theorem; and total Al(3+)-H charge-transfer cross sections are obtained using semiclassical impact-parameter techniques. The significance of charge transfer between H atoms and multiply charged ions for controlled-fusion plasmas, planetary nebulae with hot central stars, and other astronomical objects is indicated.

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