%'e provide a parameter-free perturbation treatment of the resonant electronic coupling between a simple diatomic molecule (Ht) and a jelliumlike metal surface [Al(110)]. Assuming the unperturbed molecular and metallic states to be orthogonal (which is a good approximation), the matrix element simplifies to the form (gf~H~P; ), where gf is the neutral free-molecule final state, g; the product of the unperturbed metaBic and molecular-ion wave functions, and H the Coulomb interaction of the metal electron with the nuclei and 1o electron in H2+. Using scaled linear-combination-ofatomic-orbitals Hq, scaled Heitler-London Hq, and jellium wave functions, this matrix element, including its spin dependence, is evaluated. %ith use of the golden-rule expression, the transition rates for charge transfer to the H2 X 'X+ and b 'X+ states are calculated. The dependence of these transition rates on molecule-axis orientation, distance from the surface, resonance energy, and internuclear separation, is investigated.
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