Quasi-particle band structure and exciton spectrum of a two-dimensional system of hydrogen atoms using Møller-Plesset many-body perturbation theory up to second order

作者: M. Vračko , C.-M. Liegener , J. Ladik

DOI: 10.1016/0301-0104(88)85037-7

关键词: Binding energyBand gapAtomic physicsPerturbation theoryMøller–Plesset perturbation theoryk·p perturbation theoryExcitonElectronic band structureChemistryVertex (curve)

摘要: Abstract Many-body perturbation theory up to second order in the Moller-Plesset partitioning has been used calculate correlation energy and quasi-particle bands of a periodic two-dimensional system hydrogen molecules. The exciton binding energies have calculated using first-order irreducible vertex part. results compared obtained for corresponding one-dimensional systems. It was found that transition from case leads decrease fundamental band gap, an increase shifts.

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