Abstract
Starting from a definition of the work function in terms of total energies of the electron system it is shown that this work function can be obtained from the single-particle Schrödinger equations in the density-functional formalism in the way suggested by the Sommerfeld model. It is also shown that the change of the equilibrium ion positions accompanying the ionization of the crystal has no influence on the work function. A comparison is made with Koopmans' theorem. The use of several potentials for computations of the work function is critically investigated.
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Schulte, F.K. On the theory of the work function. Z Physik B 27, 303–307 (1977). https://doi.org/10.1007/BF01320520
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DOI: https://doi.org/10.1007/BF01320520