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Electronic structure based on the local atomic environment for tight-binding bands. II
703
Citations
30
References
1975
Year
Recursion MethodPt.i See AbstrLocal Electronic StructureTransition Metal ChalcogenidesEngineeringLocal Atomic EnvironmentPhysicsApproximation TheoryNatural SciencesApplied PhysicsCondensed Matter PhysicsAtomic PhysicsTight-binding BandsComputational ChemistryQuantum ChemistryElectronic StructureAb-initio Method
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.
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