Journal of Physics C Solid State Physics · 1975 · 705 citations · 30 references
Natural SciencesChemistryPhysicsComputational ChemistryCondensed Matter PhysicsTheoretical ChemistryAb Initio MethodsApproximation MethodsComputational Quantum ChemistryDensity Functional TheoryElectronic Band StructureGreen's FunctionsBand Structure CalculationContinued-fraction ExpansionElectronic Structure AnalysisGreen's Function FormulationLocal Electronic StructureLocal StructureRecursionTight-binding Theory
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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A green's function theory of surface states
David A. Kalkstein, Paul Soven · Surface Science · 1971 · 403 citations
Natural Sciences, Chemistry, Physics +14