Quantum Mechanical Study of the Lattice
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A. Aguado
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Article
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2002
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John Wiley and Sons
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English
โ 409 KB
๐ 1 views
An embedded cluster analysis of the lattice distortions induced by a Pb 2รพ substitutional impurity in NaI, RbI and CsF crystals is presented. Active clusters containing more than 100 atoms and embedded in a quantum representation of the crystalline environment are used. Charge compensation is achiev