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Phys. Rev. Lett. 32, 774–777 (1974)

Surface Electronic Structure via Generalized Wannier Functions

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J. R. Smith and J. G. Gay
Research Laboratories, General Motors Corporation, Warren, Michigan 48090

Received 31 January 1974; published in the issue dated 8 April 1974

A method which represents surface electronic structure exactly in terms of local functions is tested by applying it to a one-dimensional surface potential. A single four-parameter variational calculation yields continuum and surface-state wave functions for an entire perturbed band. Comparison with exact solutions obtained independently indicates that the calculation is quite accurate.

© 1974 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.32.774
DOI:
10.1103/PhysRevLett.32.774
PACS: