Modification of the Orthogonalized-Plane-Wave Method Applied to Copper

Frank A. Butler, F. Kenneth Bloom, Jr., and E. Brown
Phys. Rev. 180, 744 – Published 15 April 1969
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Abstract

The band structure of copper has been calculated using a modified plane-wave method. Use is made of the explicit inclusion of a d orbital in the set of base states. Results along the [001], [110], and [111] directions are reported. These results are in good agreement with other calculations. An extension of the pseudopotential method, based on the success of the calculation, is suggested.

  • Received 29 October 1968

DOI:https://doi.org/10.1103/PhysRev.180.744

©1969 American Physical Society

Authors & Affiliations

Frank A. Butler

  • University of Kentucky, Lexington, Kentucky

F. Kenneth Bloom, Jr.

  • The Hiram Scott College, Scottsbluff, Nebraska

E. Brown

  • Rensselaer Polytechnic Institute, Troy, New York

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Issue

Vol. 180, Iss. 3 — April 1969

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