Toward scalable ab initio cavity quantum electrodynamics for correlated molecules
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Recent papers and featured abstracts
Polaritonic Chemistry using the Density Matrix Renormalization Group Method
This work develops a cavity-QED calculation protocol that combines the Density Matrix Renormalization Group algorithm with the Pauli-Fierz Hamiltonian, enabling efficient studies of electronically correlated molecules under strong coupling.
Recent advances in polaritonic chemistry and cavity-modified molecular structure
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Comparing parameterized and self-consistent approaches to ab initio cavity quantum electrodynamics for electronic strong coupling
Molecules under strong or ultra-strong light-matter coupling present an intriguing route to modify chemical structure, properties, and reactivity. This work compares parameterized and self-consistent approaches to ab initio cavity quantum electrodynamics for electronically strongly coupled systems.
Selected 2024 cavity-QED methods paper
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