Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Fundamental gaps of finite systems from the eigenvalues of a generalized
  Kohn-Sham method   We present a broadly-applicable, physically-motivated first-principles
approach to determining the fundamental gap of finite systems. The approach is
based on using a range-separated hybrid functional within the generalized
Kohn-Sham approach to density functional theory. Its key element is the choice
of a range-separation parameter such that Koopmans' theorem for both the
neutral and anionic is obeyed as closely as possible. We demonstrate the
validity, accuracy, and advantages of this approach on first, second, and third
row atoms, the oligoacene family of molecules, and a set of hydrogen-passivated
silicon nanocrystals. This extends the quantitative usage of density functional
theory to an area long believed to be outside its reach.

35
The categories of this paper are: mtrl-th
8
The categories of this paper are: hep-ex
18
The categories of this paper are: econ
19
The categories of this paper are: eess
10
The categories of this paper are: q-bio
29
The categories of this paper are: funct-an
6
The categories of this paper are: astro-ph
0
The categories of this paper are: hep-ph
12
The categories of this paper are: nucl-th
30
The categories of this paper are: q-alg
14
The categories of this paper are: math-ph
28
The categories of this paper are: alg-geom
34
The categories of this paper are: chem-ph
16
The categories of this paper are: stat
32
The categories of this paper are: atom-ph
2
The categories of this paper are: math