Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Wavefunction-Based Analysis of Dynamics Versus Yield of Free Triplets in
  Intramolecular Singlet Fission   Experiments in several intramolecular singlet fission materials have
indicated that the triplet-triplet spin biexciton has a much longer lifetime
than believed until recently, opening up loss mechanisms that can annihilate
the biexciton prior to its dissociation to free triplets. We have performed
many-body calculations of excited state wavefunctions of hypothetical
phenylene-linked anthracene molecules to better understand linker-dependent
behavior of dimers of larger acenes being investigated as potential singlet
fission candidates. The calculations reveal unanticipated features that we show
carry over to the real covalently-linked pentacene dimers. Dissociation of the
correlated triplet-triplet spin biexciton and free triplet generation may be
difficult in acene dimers where the formation of the triplet-triplet spin
biexciton is truly ultrafast. Conversely, relatively slower biexciton formation
may indicate smaller spin biexciton binding energy and greater yield of free
triplets. Currently available experimental results appear to support this
conclusion. Whether or not the two distinct behaviors are consequences of
distinct mechanisms of triplet-triplet generation from the optical singlet is
an interesting theoretical question.

9
The categories of this paper are: nlin
0
The categories of this paper are: hep-ph
24
The categories of this paper are: dg-ga
8
The categories of this paper are: hep-ex
10
The categories of this paper are: q-bio
32
The categories of this paper are: atom-ph
11
The categories of this paper are: hep-lat
25
The categories of this paper are: patt-sol
28
The categories of this paper are: alg-geom
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The categories of this paper are: stat
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The categories of this paper are: eess
30
The categories of this paper are: q-alg
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The categories of this paper are: bayes-an
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The categories of this paper are: chem-ph
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The categories of this paper are: ao-sci
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The categories of this paper are: gr-qc