Browsing by Author "Konecny, Lukas"

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Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X-ray Absorption Spectra Near L- and M-Edges of Four-Component Quality at Two-Component Cost

Konecny, Lukas; Komorovsky, Stanislav; Vicha, Jan; Ruud, Kenneth; Repisky, Michal (2023-02-01)

X-ray absorption spectroscopy (XAS) has gained popularity in recent years as it probes matter with high spatial and elemental sensitivities. However, the theoretical modeling of XAS is a challenging task since XAS spectra ...