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Electronic structure based on the local atomic environment for tight-binding bands. II

R Haydock, V Heine and M J Kelly

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For pt.I see abstr. A80956 of 1972. A number of methods previously used for calculating the local electronic structure for tight-binding bands were based on the local atomic environment without the use of Bloch's theorem. In applying the recursion method to a variety of problems, the authors have simplified, generalized and refined their original ideas. The authors (i) present a more definitive statement of the recursion method (ii) gather together a number of practical points arising from the computation of the continued-fraction expansion of the Green function and (iii) relate the techniques to other approaches to the same problems.


PACS

71.15.Ap Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)

71.20.-b Electron density of states and band structure of crystalline solids

Subjects

Condensed matter: electrical, magnetic and optical

Dates

Issue 16 (21 August 1975)



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