New Close Coupling Approach for Ion-Surface Interactions

B. Bahrim, U. Thumm
J.R.Macdonald Laboratory, Kansas State University

Abstract

Within a two-center close-coupling expansion, we rewrite the time- dependent Schrödinger equation for an active electron interacting with a slowly moving projectile and a metal surface as a system of coupled equations and solve this system numerically. In contrast to other close-coupling approaches (e.g. Ref. 1,2), we fully discretize the active electrons motion in the metal subspace along the surface normal by using a discrete sum of Weyl wave packets³. For the H/Al system, we provide level shifts, transition rates for atom-metal transitions, the time evolution of the atomic and metallic population amplitudes, and excitation rates for one-electron transitions in the substrate.

1. P. Kürpick, U. Thumm and U. Wille, Phys. Rev. A 56, 543 (1997);
2. P. Kürpick and U. Thumm, Phys. Rev. A 58, 2174 (1998).
3. G. Schiwietz, Phys. Rev. A 42, 296 (1990) and refs. therein.

Work supported by NSF under grant PHY-9604872 and the Division of Chemical Sciences, Office of Basic Energy Sciences, Office of Energy Research, U.S. DOE.

Submitted to the APS Centennial Meeting/DAMOP, Atlanta, GA in March 1999

 

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