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2023

Journal Article

Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory

E. Hauge, H. E. Kristiansen, L. Konecny, M. Kadek, M. Repisky, T. B. Pedersen

Journal of Chemical Theory and Computation 19 (21), 7764–7775 (2023)

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DOI

supplementary-material

publisher-version

Journal Article

Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy

T. Moitra, L. Konecny, M. Kadek, A. Rubio, M. Repisky

The Journal of Physical Chemistry Letters 14 (7), 1714–1724 (2023)

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DOI

supplementary-material

publisher-version

Journal Article

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

L. Konecny, S. Komorovsky, J. Vicha, K. Ruud, M. Repisky

The Journal of Physical Chemistry A 127 (5), 1360–1376 (2023)

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DOI

supplementary-material

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2024

Book Chapter

Relativistic Real-Time Methods

M. Kadek, L. Konecny, M. Repisky

In: M. Yáñez, R. J. Boyd, editors. Comprehensive Computational Chemistry, vol. 3, Elsevier; 2024

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