Non-Hermitian Cavity Quantum Electrodynamics - Configuration Interaction Singles Approach for Polaritonic Structure with ab initio Molecular Hamiltonians
Abstract:We combine {ab initio molecular electronic Hamiltonians with a cavity quantum electrodynamics model for dissipative photonic modes and apply mean-field theories to the ground- and excited-states of resulting polaritonic systems. In particular, we develop a restricted Hartree-Fock theory for the mean-field ground-state and a non-Hermitian configuration interaction singles theory for mean-field excited-states of the molecular system strongly interacting with a photonic mode, and apply these methods to several pa… Show more
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