Concepedia

All-electrons band structure of polyethylene in the nearest cell approximation

J. M. André, G. Leroy

Chemical Physics Letters · 1970 · 73 citations · 2 references

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Concepts

Natural SciencesMaterials ScienceElectronic MaterialsPolymer ChemistryPolymer MaterialsDensity Functional TheoryElectron ConfigurationsElectronic Band StructureElectronic Structure Of SolidsPolymer PhysicsPolymer StructureBand Structure CalculationBand TheoryElectronic Band GapPolyethyleneValence Band

References

2

Self-Consistent Field Theory for the Electronic Structure of Polymers

Jean Marie André · The Journal of Chemical Physics · 1969 · 170 citations

Natural Sciences, Chemistry, Physics +16

Simple Lcao band calculation for the ideal polyethylene chain

W. L. McCubbin, Rolf Manne · Chemical Physics Letters · 1968 · 74 citations

Natural Sciences, Chemistry, Materials Science +12