Literature DB >> 11607276

Magic numbers for metallic clusters and the principle of maximum hardness.

M K Harbola1.   

Abstract

It is shown that for relatively more stable metallic clusters (those with magic number of atoms) the chemical hardness (I-A) too is relatively larger. Thus the occurrence of magic numbers for metal clusters whose stability is determined by their electronic shell structure can be understood as a manifestation of the principle of maximum hardness. This may also represent a possible way of delineating clusters with stability dominated by their electronic shell structure from those for which the magic numbers occur as a result of their geometric structure.

Entities:  

Year:  1992        PMID: 11607276      PMCID: PMC48380          DOI: 10.1073/pnas.89.3.1036

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  7 in total

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5.  Exchange and correlation energies in density-functional theory: Bounds from available data.

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6.  Ground-state energies and highest occupied eigenvalues of atoms in exchange-only density-functional theory.

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7.  Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.

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  7 in total
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