Abstract: A surface potential is derived which can be added to the Schrodinger equation for a limited region of space, I, to embed it into a substrate. This potential, which is energy-dependent and non-local, can be found from the Green function for the bulk substrate. The results are based on a variational principle which gives the energy of a state in terms of the wavefunction in I. The embedded Schrodinger equation can be solved by a basis set expansion, for the wavefunctions of discrete states and the Green function in the continuum, and the method is demonstrated for the case of a square well.
Publication Year: 1981
Publication Date: 1981-09-20
Language: en
Type: article
Indexed In: ['crossref']
Access and Citation
Cited By Count: 264
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