ChargeTransport: Charge Transfer Rates and Charge Carrier Mobilities

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This package provides functions to compute Marcus, Marcus-Levich-Jortner or Landau-Zener charge transfer rates. These rates can then be used to perform kinetic Monte Carlo simulations to estimate charge carrier mobilities in molecular materials. The preparation of this package was supported by the the Fondazione Cariplo (PLENOS project, ref. 2011-0349).

Author
Julien Idé and Guido Raos
Date of publication
2014-06-04 14:51:05
Maintainer
Julien Idé <julien.ide.fr@gmail.com>
License
GPL
Version
1.0.2

View on CRAN

Man pages

activationFreeEnergy
Activation Free Energy
dEField
Site Energy Difference due to an Electric Field
energyConversion
Energy Conversion
KMC
Charge Transport Simulation
LandauZener
Landau-Zener Charge Transfer Rates
Marcus
Marcus Charge Transfer Rates
MarcusLevichJortner
Marcus-Levich-Jortner Charge Transfer Rates
universalConstants
universal Constants

Files in this package

ChargeTransport
ChargeTransport/src
ChargeTransport/src/FRM.f90
ChargeTransport/src/BKL.f90
ChargeTransport/NAMESPACE
ChargeTransport/data
ChargeTransport/data/universalConstants.rda
ChargeTransport/R
ChargeTransport/R/MarcusLevichJortner.R
ChargeTransport/R/adiabaticCorrection.R
ChargeTransport/R/LandauZener.R
ChargeTransport/R/dEField.R
ChargeTransport/R/energyConversion.R
ChargeTransport/R/KMC.R
ChargeTransport/R/LandauZenerProbability.R
ChargeTransport/R/activationFreeEnergy.R
ChargeTransport/R/electronicTransmissionCoefficient.R
ChargeTransport/R/Marcus.R
ChargeTransport/MD5
ChargeTransport/DESCRIPTION
ChargeTransport/man
ChargeTransport/man/KMC.Rd
ChargeTransport/man/universalConstants.Rd
ChargeTransport/man/activationFreeEnergy.Rd
ChargeTransport/man/LandauZener.Rd
ChargeTransport/man/Marcus.Rd
ChargeTransport/man/MarcusLevichJortner.Rd
ChargeTransport/man/energyConversion.Rd
ChargeTransport/man/dEField.Rd