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

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 dyna...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 2006-09, Vol.769 (1), p.3-8
Main Authors: Cusati, T., Napoli, A., Messina, A.
Format: Article
Language:English
Subjects:
Energy transfer
Intermolecular energy exchange
Quantum covariance
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Summary: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.
ISSN:0166-1280
1872-7999
DOI:10.1016/j.theochem.2006.04.052