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- W2092927757 abstract "Starting from the correlation corrected (quasiparticle) band structures of the ${mathrm{CuO}}_{2}$ plane and the CuO chain (always including the apical oxygen atom) of ${mathrm{YBa}}_{2}{mathrm{Cu}}_{3}{mathrm{O}}_{7}$ we have calculated the exciton spectra of both systems. For this the intermediate exciton theory was applied in its first-principles form. This leads to a Green's-matrix equation for the determination of the ${E}_{mathbf{q}}$ exciton energies. We have applied in the denominator of the Green's-matrix quasiparticle one-electron energies instead of the Hartree-Fock ones. In this way we have found very good agreement with experiment for the calculated exciton energies of the ${mathrm{CuO}}_{2}$ plane (theoretical values 4.4--5.7 eV, experimental values 4.5--5.5 eV). Further there is a reflexion spectrum peak of ${mathrm{YBa}}_{2}{mathrm{Cu}}_{3}{mathrm{O}}_{6.9}$ at 8.0 eV which agrees well with our results obtained for the exciton energies of the chain." @default.
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- W2092927757 date "1997-12-01" @default.
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- W2092927757 title "Calculation of the exciton spectrum of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>YBa</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Cu</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>O</mml:mi></mml:mrow><mml:mrow><mml:mn>7</…" @default.
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- W2092927757 doi "https://doi.org/10.1103/physrevb.56.13750" @default.
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