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physics.chem-ph2026
Engineering molecular potential energy surfaces using magnetic cavity quantum electrodynamics
Lukas Weber, Leonardo dos Anjos Cunha, Johannes Flick +1
We investigate the effects of coupling a quantum-magnetic cavity field to molecules. Our high-precision auxiliary-field quantum Monte Carlo calculations capture the effect of the c…
physics.chem-ph2024★ 7 cited
Phaseless auxiliary-field quantum Monte Carlo method for cavity-QED matter systems
Lukas Weber, Leonardo dos Anjos Cunha, Miguel A. Morales +2
We present a generalization of the phaseless auxiliary-field quantum Monte Carlo (AFQMC) method to cavity quantum-electrodynamical (QED) matter systems. The method can be formulate…