Application of the Hellmann-Feynman theorem to the study of substitutional impurities in a linear chain of atoms Article uri icon

abstract

  • The Hellmann-Feynman theorem is applied to calculate the effects produced by substitutional impurities in a linear chain of atoms. In particular, within the tight binding Hamiltonian, we present exact results for the change in energy of the system caused by the impurity. © 1982.

publication date

  • 1982-01-01