FRETTY (release 1.0, May 2016)

FRETTY computes the excitation energy transfer (EET) rate according to Fermi Golden rule first order perturbation theory. It implements the expression known as F\"{o}rster resonance energy transfer (FRET) rate.

It is written in Fortran 90 apart few routines that are written in Fortran 77. Different models are adopted to compute the electronic coupling : dipolar interaction, Coulomb interaction between transition charges and Coulomb interaction between transition densities. For the latter case, FRETTY implements the transition density cube (TDC) method presented in:

    B. P. Krueger, G. D. Scholes, G. R. Fleming, The Journal of Physical Chemistry B 102, 5378 (1998) (DOI: 10.1021/jp9811171).

FRETTY has been employed to obtain the results reported in:

    I. Tosi, M. Segado Centellas, E. Campioli, A. Iagatti, A. Lapini, C. Sissa, L. Baldini, C. Cappelli, M. Di Donato, F. Sansone, F. Santoro, F. Terenziani ChemPhysChem 2016, 17, 1 – 22 (DOI: 10.1002/cphc.201501065 )

This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation (version3).

For further information please contact Fabrizio Santoro.


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