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Equilibrium Properties of Hard Sphere Fluid in Confined Geometries: a Density Functional Theory Study

✍ Scribed by Wei-Hua, Li; Wei-Zhao, Zhu; Hong-Ru, Ma


Book ID
126271347
Publisher
Institute of Physics
Year
2003
Tongue
English
Weight
236 KB
Volume
20
Category
Article
ISSN
0256-307X

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The host Ga n ΓΎ 1 and doped Ga n Nb (n ΒΌ 1-9) clusters with several spin configurations have been systematically investigated by a relativistic density functional theory (DFT) with the generalized gradient approximation. The optimized equilibrium geometries tend to prefer the close-packed configurat