Exact factorization of the photon–electron–nuclear wavefunction: Formulation and coupled-trajectory dynamics
Eduarda Sangiogo Gil,
David Lauvergnat,
Federica Agostini
Abstract:We employ the exact-factorization formalism to study the coupled dynamics of photons, electrons, and nuclei at the quantum mechanical level, proposing illustrative examples of model situations of nonadiabatic dynamics and spontaneous emission of electron–nuclear systems in the regime of strong light–matter coupling. We make a particular choice of factorization for such a multi-component system, where the full wavefunction is factored as a conditional electronic amplitude and a marginal photon–nuclear amplitude… Show more
This Perspective offers an overview on the applications of the exact factorization of the electron-nuclear wavefunction to the domain of theoretical photochemistry, where the aim is to gain insights into...
This Perspective offers an overview on the applications of the exact factorization of the electron-nuclear wavefunction to the domain of theoretical photochemistry, where the aim is to gain insights into...
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