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- W2001192126 abstract "The linearized atomic-cell orbital (LACO) method is used to compute free-electron energy bands. Variational calculations are carried out for a Wigner-Seitz atomic cell appropriate to the fcc Cu lattice, and are compared with exact free-electron energy bands along the ensuremath{Gamma}--K line. Spherical harmonics through l=4 are included in full polyhedral calculations. For comparison, calculations using a spherical approximation are carried through l=5. Results show that the LACO method is efficient and accurate. It converges more rapidly than the spherical approximation." @default.
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- W2001192126 date "1987-10-15" @default.
- W2001192126 modified "2023-09-23" @default.
- W2001192126 title "Empty-lattice test of the linearized atomic-cell orbital method for energy bands" @default.
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- W2001192126 doi "https://doi.org/10.1103/physrevb.36.6356" @default.
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