Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Designing intramolecular singlet-fission materials using
  indeno[1,2-b]fluorene dimers: A DMRG and TDDFT study   Low-lying excited states for indeno[1,2-b]fluorene homo dimers with or
without benzene spacers are calculated using the Density Matrix Renormalization
group (DMRG) approach within Pariser-Parr-Pople (PPP) model Hamiltonian. DMRG
calculations suggest that all the dimers studied here satisfy the essential
energy conditions for SF. SF is a multiexciton generation process. As it is
spin allowed, the process is very fast. By generating multiple exciton at a
time SF underestimate SQ limit to enhance photo-conversion efficiency of single
junction solar cells. Frontier orbital calculation through Density Functional
Theory (DFT) depicts orbital localization of triplets on either side of the
covalent spacers. Which supports the entangled triplet-triplet state $^1(TT)$.
Here the process is intramolecular (iSF), which has many advantages over the
intermolecular (xSF) process, as in intermolecular process the SF process is
highly dependent on the crystal packing, defects, dislocations etc. The
entangled $^1(TT)$ state for xSF is localized on both of the chromophores, thus
the appropriate crystal packing is essential for xSF. However iSF does not
depend on the crystal packing. Our DMRG calculation and TDDFT calculation are
in well agreement with experimental results found in the literature. Thus
indeno[1,2-b]fluorene homo dimers can be applicable in iSF application.

7
The categories of this paper are: hep-th
0
The categories of this paper are: hep-ph
28
The categories of this paper are: alg-geom
16
The categories of this paper are: stat
36
The categories of this paper are: cmp-lg
22
The categories of this paper are: chao-dyn
8
The categories of this paper are: hep-ex
23
The categories of this paper are: solv-int
29
The categories of this paper are: funct-an
17
The categories of this paper are: q-fin
31
The categories of this paper are: ao-sci
34
The categories of this paper are: chem-ph
35
The categories of this paper are: mtrl-th
11
The categories of this paper are: hep-lat
3
The categories of this paper are: physics
9
The categories of this paper are: nlin