Kenneth R. Carter, Robert D. Miller, et al.
Macromolecules
The linearized atomic-cell orbital (LACO) method is used for self-consistent calculations of energy bands of fcc Cu. This method eliminates the local-sphere approximation while retaining much of the efficient computational organization of earlier linear methods. Large effects of this approximation are not expected for a close-packed metal, but the present calculations serve to calibrate the LACO method against earlier self-consistent results. General close agreement is found. Formalism for canonical scaling is developed appropriate to a nonspherical atomic cell, and is applied to a given density-of-states function in an inner self-consistency loop. © 1987 The American Physical Society.
Kenneth R. Carter, Robert D. Miller, et al.
Macromolecules
S.F. Fan, W.B. Yun, et al.
Proceedings of SPIE 1989
J.A. Barker, D. Henderson, et al.
Molecular Physics
A. Ney, R. Rajaram, et al.
Journal of Magnetism and Magnetic Materials