Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Donor and acceptor levels of organic photovoltaic compounds from first
  principles   Accurate and efficient approaches to predict the optical properties of
organic semiconducting compounds could accelerate the search for efficient
organic photovoltaic materials. Nevertheless, predicting the optical properties
of organic semiconductors has been plagued by the inaccuracy or computational
cost of conventional first-principles calculations. In this work, we
demonstrate that orbital-dependent density-functional theory based upon
Koopmans' condition [Phys. Rev. B 82, 115121 (2010)] is apt at describing donor
and acceptor levels for a wide variety of organic molecules, clusters, and
oligomers within a few tenths of an electron-volt relative to experiment, which
is comparable to the predictive performance of many-body perturbation theory
methods at a fraction of the computational cost.

13
The categories of this paper are: quant-ph
21
The categories of this paper are: adap-org
5
The categories of this paper are: gr-qc
20
The categories of this paper are: acc-phys
18
The categories of this paper are: econ
10
The categories of this paper are: q-bio
9
The categories of this paper are: nlin
17
The categories of this paper are: q-fin
24
The categories of this paper are: dg-ga
7
The categories of this paper are: hep-th
27
The categories of this paper are: comp-gas
1
The categories of this paper are: cs
29
The categories of this paper are: funct-an
36
The categories of this paper are: cmp-lg
8
The categories of this paper are: hep-ex
26
The categories of this paper are: bayes-an