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Titlebook: Computational Methods in Band Theory; Proceedings of a Con P. M. Marcus,J. F. Janak,A. R. Williams Conference proceedings 1971 Plenum Press

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NQRS Data for AgAlBr4 (Subst. No. 0005),. a periodic potential, and the difficulties associated with this aspect of the problem have been nicely described by Professor Slater in the preceding talk (l). This talk will describe the second part of the problem, namely the solution of the Schrödinger equation defined by the periodic potential
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NQRS Data for AgGaSe2 (Subst. No. 0010),computer time and core storage requirements can be realized. In this paper, we give some observations relevant to the Orthogonalized-Plane-Wave (OPW) method. Many of these observations are equally relevant to other computational techniques. Mattheiss, Wood, and Switendick. have outlined the use of s
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Substances Containing C10H16...Znor the performance of efficient band structural calculations. These techniques are for the computer evaluation of the KKR structure constants, which are the basic potential independent functions necessary when using this first principles method. By using both analytical and computational partitionin
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