Hartree-Fock interaction between a helium atom and lithium metal: A test for the effective medium theory |
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| Authors: | B.K. Rao P. Jena D.D. Schillady A. Hintermann M. Manninen |
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| Affiliation: | Department of Physics, Virginia Commonwealth University, Richmond, VA 23284, USA;Department of Chemistry, Virginia Commonwealth University, Richmond, VA 23284, USA;Laboratory of Medium Energy Physics, Swiss Institute for Nuclear Research, CH-5234Villigen, Switzerland;Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, NY 14853, USA |
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| Abstract: | The interaction of a helium atom with 6 and 10 atom clusters of lithium has been calculated using the unrestricted Hartree-Fock method, Hartree-Fock method with correlation corrections, and the effective medium theory. Inside the cluster the helium embedding energy is found to be proportional to the electron density of the cluster. The proportionality constant obtained by the Hartree-Fock method is in fair agreement with that calculated in the homogeneous electron gas using the local density approximation. Outside the cluster, in the region compatible with the helium diffraction experiments, the self-consistent calculations give much larger repulsion than the effective medium theory. |
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