6533b82bfe1ef96bd128d60d

RESEARCH PRODUCT

Competition between inter- and intra- molecular energy exchanges in a simple quantum model of a dimer

Teresa CusatiTeresa CusatiAntonino MessinaAnna Napoli

subject

DimerIntermolecular forceDegrees of freedom (physics and chemistry)ObservableCondensed Matter PhysicsBiochemistryQuantum covarianceCompetition (economics)chemistry.chemical_compoundMonomerchemistryEnergy transferChemical physicsIntermolecular energy exchangeMoleculePhysical and Theoretical ChemistryAtomic physicsQuantum

description

Abstract We propose a fully quantum model to describe the dynamics of a possible radiationless energy transfer process between identical and nearly localized molecules or monomers coupled through a dipole–dipole term. The system is studied as an environmentally isolated dimeric pair and we find that its dynamics exhibits a competition between the process ruling out the transfer of energy among different degrees of freedom of a given monomer and the one steering the intermolecular passage of excitations from a monomer to the other one. Such a competition is quantitatively characterized investigating on the temporal behaviour of quantum covariances of some couples of appropriate observables having a clear physical meaning.

https://doi.org/10.1016/j.theochem.2006.04.052