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20112024
most citedGPAW: An open Python package for electronic-structure calculations

275 citations · 997 across the 17 of their papers we have counts for

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Showing 2021Show all

5 papers · 1 filter

quant-ph2021★ 32 cited

A Shortcut to Self-Consistent Light-Matter Interaction and Realistic Spectra from First-Principles

Christian Schäfer, Göran Johansson

We introduce a simple approach how an electromagnetic environment can be efficiently embedded into state-of-the-art electronic structure methods, taking the form of radiation-react…

physics.chem-ph2021★ 106 cited

A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity

Dominik Sidler, Michael Ruggenthaler, Christian Schäfer +2

This perspective provides a brief introduction into the theoretical complexity of polaritonic chemistry, which emerges from the hybrid nature of strongly coupled light-matter state…

quant-ph2021

Making ab initio QED functional(s): Non-perturbative and photon-free effective frameworks for strong light-matter coupling

Christian Schäfer, Florian Buchholz, Markus Penz +2

Strong light-matter coupling provides a promising path for the control of quantum matter where the latter is routinely described from first-principles. However, combining the quant…

cond-mat.mtrl-sci2021★ 37 cited

Simulating terahertz field-induced ferroelectricity in quantum paraelectric SrTiO

Dongbin Shin, Simone Latini, Christian Schafer +5

Recent experiments have demonstrated that light can induce a transition from the quantum paraelectric to the ferroelectric phase of SrTiO. Here, we investigate this terahertz f…

quant-ph2021★ 183 cited

Shining Light on the Microscopic Resonant Mechanism Responsible for Cavity-Mediated Chemical Reactivity

Christian Schäfer, Johannes Flick, Enrico Ronca +2

Strong light-matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner. The underlying mec…