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quant-ph2026
Light-induced nonadiabatic dissipative quantum dynamics of the Na2 molecule
Patrick Barron, Krisztián Szabó, Gábor J. Halász +2
Strong light-matter coupling between molecules and optical or plasmonic cavity modes has emerged as a promising platform for advancing photonics, materials science, and chemistry.…
quant-ph2026
Explicitly Correlated Gaussian Basis Approach to Periodic Systems
Kalman Varga
Closed-form expressions for all matrix elements required for variational calculation of the electronic structure of periodic solids have been derived using a basis of explicitly co…
physics.chem-ph2026
Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules Interacting with Light
Yetmgeta Aklilu, Tiany Yang, Cody Covington +1
We study light-mediated interactions between spatially separated molecules using real-time quantum electrodynamical time-dependent density functional theory based on the Pauli-Fier…