Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Determination of screened Coulomb repulsion energies in organic
  molecular crystals: A real space approach   We present a general method for determining screened Coulomb parameters in
molecular assemblies, in particular organic molecular crystals. This allows us
to calculate the interaction parameters used in a generalized Hubbard model
description of correlated organic materials. In such a model only the electrons
in levels close to the Fermi level are included explicitly, while the effect of
all other electrons is included as a renormalization of the model parameters.
For the Coulomb integrals this renormalization is mainly due to screening. For
molecular materials we can split the screening into intra- and inter-molecular
screening. Here we demonstrate how the inter-molecular screening can be
calculated by modeling the molecules by distributed point-polarizabilities and
solving the resulting self-consistent electrostatic screening problem in real
space. For the example of the quasi one-dimensional molecular metal TTF-TCNQ we
demonstrate that the method gives remarkably accurate results.

21
The categories of this paper are: adap-org
24
The categories of this paper are: dg-ga
6
The categories of this paper are: astro-ph
33
The categories of this paper are: plasm-ph
7
The categories of this paper are: hep-th
27
The categories of this paper are: comp-gas
25
The categories of this paper are: patt-sol
17
The categories of this paper are: q-fin
8
The categories of this paper are: hep-ex
23
The categories of this paper are: solv-int
13
The categories of this paper are: quant-ph
3
The categories of this paper are: physics
1
The categories of this paper are: cs
26
The categories of this paper are: bayes-an
20
The categories of this paper are: acc-phys
36
The categories of this paper are: cmp-lg