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- W2018004153 abstract "We extend the linear algebraic method to the calculation of molecular photoionization cross sections. The formulation is primarily developed in the fixed-nuclei, Hartree-Fock, and frozen-core approximations, although correlation effects in the scattering solution are introduced through an effective optical potential. The single-center expansion and close-coupling approximations are invoked to give converged scattering solutions. Cross sections and asymmetry parameters are reported for photoionization from the ground state of ${mathrm{H}}_{2}$, ${mathrm{N}}_{2}$, NO, and C${mathrm{O}}_{2}$. We obtain very good agreement with the Schwinger variational results of McKoy and co-workers for all molecular systems. For NO and C${mathrm{O}}_{2}$, we find substantial disagreements with the Stieltjes calculations for some symmetries." @default.
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- W2018004153 title "Molecular photoionization in the linear algebraic approach:<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>N</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:…" @default.
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- W2018004153 doi "https://doi.org/10.1103/physreva.29.1695" @default.
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