Titlebook: Interatomic Potentials and Simulation of Lattice Defects; Pierre C. Gehlen,Joe R. Beeler,Robert I. Jaffee Book 1972 Plenum Press, New York

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On the Validity of Two-Body Potentials in Metals, although they enter as parameters defining the crystal potential. The reason for this is that the Bloch functions are extended throughout the crystal and are not preferentially associated with any particular atom. On this basis, therefore, the crystal energy of a metal cannot be expressed as a sum of interatomic potentials.

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Mechanics

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Screening Functions in Simple Metalsects in the screening, is reviewed. The consequences of these results with regard to the evaluation of the dynamical properties of solid and liquid metals, and of the cohesive properties of metals and atomic spectroscopic data, are discussed, stressing whenever possible their relevance to calculations of defect properties.

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The Direct Construction of the Lattice Green Function advantage that the long wavelength (continuum) response is explicitly contained in the total Green’s function. The dispersion data is thus “fitted” with significantly fewer parameters than in the usual force constant method. Several applications of the Green function method are discussed.

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Experimental Techniques Used to Obtain Potentialse of the violent oscillations close to the nucleus which characterize .., the set of conduction electron wave functions. It turns out that this transformation may be accomplished provided the new operator is written .(.) where .(.) is a pseudopotential.

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Derivation of Long-Range Interaction Energies from Diffuse Scattering in Diffraction Patternsthe relationship of the diffuse scattering to the form of the Fermi surface is discussed. Consideration is given to the possibility of detecting and analyzing the effects of nonpair-wise interaction energies from diffraction data.

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