Pseudopotential approach to the embedding of helium atoms in metallic jellium
作者： A.N. Andriotis
DOI: 10.1016/0038-1098(86)90713-1
关键词: Atomic orbital 、 Embedding 、 Atomic physics 、 Chemistry 、 Pseudopotential 、 Metal 、 Helium 、 Helium atom 、 Jellium 、 Series (mathematics)
摘要: Abstract Using the Coupled Hartree-Fock (CHF) method, we calculate energy change, E , in embedding a helium atom into metallic jellium. This change is expressed as series free electron density, ϱ 0 of metal under assumption that, upon embedding, no changes take place within atom. Keeping leading term this series, well-known result = αϱ obtained. The constant α terms characteristics 1 s orbital atom; found to be 590 eV 3 which however greater than value 385 predicted by exact solution.
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