Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: First principles calculations of anisotropic charge carrier mobilities
  in organic semiconductor crystals   The orientational dependence of charge carrier mobilities in organic
semiconductor crystals and the correlation with the crystal structure are
investigated by means of quantum chemical first principles calculations
combined with a model using hopping rates from Marcus theory. A master equation
approach is presented which is numerically more efficient than the Monte Carlo
method frequently applied in this context. Furthermore, it is shown that the
widely used approach to calculate the mobility via the diffusion constant along
with rate equations is not appropriate in many important cases. The
calculations are compared with experimental data, showing good qualitative
agreement for pentacene and rubrene. In addition, charge transport properties
of core-fluorinated perylene bisimides are investigated.

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The categories of this paper are: chem-ph
20
The categories of this paper are: acc-phys
9
The categories of this paper are: nlin
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The categories of this paper are: cmp-lg
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The categories of this paper are: alg-geom
8
The categories of this paper are: hep-ex
25
The categories of this paper are: patt-sol
18
The categories of this paper are: econ
32
The categories of this paper are: atom-ph
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The categories of this paper are: plasm-ph
6
The categories of this paper are: astro-ph
12
The categories of this paper are: nucl-th
21
The categories of this paper are: adap-org
16
The categories of this paper are: stat
17
The categories of this paper are: q-fin
19
The categories of this paper are: eess