Practical Computation of the Charge Mobility in Molecular Semiconductors Using Transient Localization Theory

We describe a practical and flexible
procedure to compute the charge
carrier mobility in the transient localization regime. The method
is straightforward to implement and computationally very inexpensive.
We highlight the practical steps and provide sample computer codes.
To demonstrate the flexibility of the method and generalize the theory,
the correlation between the fluctuations of the transfer integrals
is assessed. The method can be transparently linked with the results
of electronic structure calculations and can therefore be used to
extract the charge mobility at no additional cost.