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An effective bath state approach to model infrared spectroscopy and intramolecular dynamics in complex molecules
Loïse Attal, Cyril Falvo, Pascal Parneix
When a molecule contains more than a few atoms, its full-dimensional dynamics becomes untractable, especially when introducing temperature effects. In such a case, it can be intere…
Modeling the dynamics of quantum systems coupled to large dimensional baths using effective energy states
Loïse Attal, Cyril Falvo, Florent Calvo +1
The quantum dynamics of a low-dimensional system in contact with a large but finite harmonic bath is theoretically investigated by coarse-graining the bath into a reduced set of ef…
Coherent state switching using vibrational polaritons in an asymmetric double-well potential
Loïse Attal, Florent Calvo, Cyril Falvo +1
The quantum dynamics of vibrational polaritonic states arising from the interaction of a bistable molecule with the quantized mode of a Fabry-Perot microcavity is investigated usin…
Extracting vibrational anharmonicities from short driven molecular dynamics trajectories
Pascal Parneix, Romain Maupin, Loïse Attal +2
Anharmonicities provide a wealth of information about the vibrational dynamics, mode coupling and energy transfer within a polyatomic system. In this contribution we show how drive…