Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Interplay Between Non-adiabatic Dynamics and Frenkel Exciton Transfer in
  Molecular Aggregates: Formulation and Application to a Perylene Bismide Model   The quantum dynamics of linear molecular aggregates in the presence of S0-S1
and S0-S2 transitions is investigated putting emphasis on the interplay between
local non-adiabatic S2 to S1 deactivation and Frenkel exciton transfer. The
theoretical approach combines aspects of the linear vibronic coupling and
Frenkel exciton models. Dynamics calculations are performed for the absorption
spectrum and the electronic state populations using the multiconfiguration
time-dependent Hartree approach. As an application perylene bisimde J-type
dimer and trimer aggregates are considered, including four tuning and one
coupling mode per monomer. This leads to a dynamical model comprising up to 7
electronic states and 15 vibrational modes. The unknown non-adiabatic coupling
strength is treated as a parameter that is chosen in accordance with available
absorption spectra. This leaves some flexibility that can be limited by the
clearly distinguishable population dynamics.

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The categories of this paper are: q-bio
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The categories of this paper are: quant-ph
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The categories of this paper are: nucl-ex
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The categories of this paper are: cmp-lg
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The categories of this paper are: hep-ex
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The categories of this paper are: astro-ph
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The categories of this paper are: math-ph
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The categories of this paper are: adap-org
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The categories of this paper are: funct-an
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The categories of this paper are: q-fin
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The categories of this paper are: eess
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The categories of this paper are: atom-ph
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The categories of this paper are: solv-int
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The categories of this paper are: chem-ph
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The categories of this paper are: acc-phys
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The categories of this paper are: stat