599 citations · 3.5k across the 82 of their papers we have counts for
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Testing electron-photon exchange-correlation functional performance for many-electron systems under weak and strong light-matter coupling
Iman Ahmadabadi, I-Te Lu, Leonardo A. Cunha +3
We present results of a photon-free exchange-correlation functional within the local density approximation (pxcLDA) for quantum electrodynamics density functional theory (QEDFT) th…
Multimode equilibrium approximations in light-matter systems from weak to strong coupling
Davis M. Welakuh, Vasil Rokaj, Michael Ruggenthaler +1
In this work, we detail different approaches to treat multi-mode photonic environments within non-relativistic quantum electrodynamics in the long-wavelength approximation efficien…
Molecular polariton dynamics in realistic cavities
Carlos M. Bustamante, Franco P. Bonafé, Maxim Sukharev +3
The large number of degrees of freedom involved in polaritonic chemistry processes considerably restricts the systems that can be described by any ab initio approach, due to the re…
Density-Functional Tight Binding Meets Maxwell: Unraveling the Mysteries of (Strong) Light-Matter Coupling Efficiently
Dominik Sidler, Carlos M. Bustamante, Franco P. Bonafe +3
Controlling chemical and material properties through strong light-matter coupling in optical cavities has gained considerable attention over the past decade. However, the underlyin…
v-Representability on a one-dimensional torus at elevated temperatures
Sarina M. Sutter, Markus Penz, Michael Ruggenthaler +2
We extend a previous result [Sutter et al., J. Phys. A: Math. Theor. 57, 475202 (2024)] to give an explicit form of the set of -representable densities on the one-dimensional to…
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…