On the Validity of Two-Body Potentials in Metals
The use of wave functions of the Bloch type for metals leads to a crystal energy in which the contribution of the valence electrons depends explicitly on the crystal volume.1,2 Except for the contribution of the core-core interactions, the atomic positions do not occur explicitly in the crystal energy, 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.
KeywordsAlkali Metal Pairwise Interaction Interatomic Potential Bloch Function Wannier Function
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