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physics.chem-ph2025
Linear-Response Quantum-Electrodynamical Density Functional Theory Based on Two-Component X2C Hamiltonians
Lukas Konecny, Valeriia P. Kosheleva, Michael Ruggenthaler +2
Linear-response quantum electrodynamical density functional theory (QEDFT) enables the description of molecular spectra under strong coupling to quantized photonic modes, such as t…
physics.chem-ph2024★ 4 cited
Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory
Lukas Konecny, Valeriia P. Kosheleva, Heiko Appel +2
We present the theoretical derivation and numerical implementation of the linear response equations for relativistic quantum electrodynamical density functional theory (QEDFT). In…