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Abstract
It is shown that the concept of molecular orbitals is a useful one also in describing interactions between impurities in metals. The conclusion is based on first principles, self-consistent calculations for H2 in jellium. The dissociation energy is primarily determined by the position of the Fermi energy relative to an antibonding molecular resonance. In a dense metal like Aℓ this is completely filled and the dissociation energy is an order of magnitude smaller than for free H2.
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