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

Ventilator

Phase Shift Parametrization: Band Structure of Silverical way to find the band structure of Ag. To do this, we use a first principles calculation as a guide, and adjust the parameters specifying the n.(E) to fit available Fermi surface, optical and photoemission data.

Femine

Approximate KKR Band-Structure Schemes for Transition Metalsring the past year or two for solving the energy band problem for .. It will become apparent from the theory that . metals (i.e., non-transition metals), and in particular pseudopotential theory (Harrison (1966)), can be treated as an approximation to the theory developed in section 3 of this paper.

勛章

APW Pseudopotential Form Factors for the Alkali Metals

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pansion of the conference in that, unlike the oral presentations, the papers were not limited as to length. Furthermore, time was allowed after the conference to permit the papers to be written with the conference in retrospect, and five "prepared discussion" papers written by attendees of the conference but 978-1-4684-1892-7978-1-4684-1890-3

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NQRS Data for AgAl2Br7 (Subst. No. 0007),The variational formulation for the solution of the periodic potential problem has been known for some time.. Thus, the development of a new band structure method usually consists of creating a basis function set which has some convenient features. What is to be described here is a variant of the APW basis function set.

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NQRS Data for AgAl2Br7 (Subst. No. 0007),The Augmented-Plane-Wave (AFW) method proposed by Slater (/l/,/2/) has proved very successful for the calculation of the band structure of solids. However, aiming especially at improved wave functions, some refinements seem desirable.

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An Alternative APW Technique: Theory and Application to CopperThe variational formulation for the solution of the periodic potential problem has been known for some time.. Thus, the development of a new band structure method usually consists of creating a basis function set which has some convenient features. What is to be described here is a variant of the APW basis function set.

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