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- W2796085280 abstract "X-ray (L_{2,3}) absorption spectra are dominated by transitions to d states which are either continuum states rapidly varying with the energy or collapsed bound states formed in the field of the 2p hole in the absorbing atom. Computing such spectra requires extremely small step in the real energy scale making the calculations time-consuming even in a single-particle approach. In this paper we present an efficient procedure of solving this problem within the multichannel multiple scattering real–space Green’s function (MCMS-GF) method which takes into account the strong impact of electron-hole correlations on (L_{2,3})-edge spectra. A new numerical scheme is based on the analytical continuation of the Green’s function to complex energies. The applicability of this approach is demonstrated by computing the K (L_{2,3})-edge spectrum for potassium fluoride." @default.
- W2796085280 created "2018-04-13" @default.
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- W2796085280 date "2018-01-01" @default.
- W2796085280 modified "2023-09-27" @default.
- W2796085280 title "Multichannel L-Absorption Calculations by Analytical Continuation of Green’s Function into Complex Energy Plane" @default.
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- W2796085280 doi "https://doi.org/10.1007/978-3-319-73811-6_13" @default.
- W2796085280 hasPublicationYear "2018" @default.
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