Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Quasiparticle bands in cuprates by quantum chemical methods: towards an
  ab initio description of strong electron correlations   Realistic electronic-structure calculations for correlated Mott insulators
are notoriously hard. Here we present an ab initio multiconfiguration scheme
that adequately describes strong correlation effects involving Cu 3d and O 2p
electrons in layered cuprates. In particular, the O 2p states giving rise to
the Zhang-Rice band are explicitly considered. Renormalization effects due to
nonlocal spin interactions are also treated consistently. We show that the
dispersion of the lowest band observed in photoemission is reproduced with
quantitative accuracy. Additionally, the evolution of the Fermi surface with
doping follows directly from our ab initio data. Our results thus open a new
avenue for the first-principles investigation of the electronic structure of
correlated Mott insulators.

9
The categories of this paper are: nlin
24
The categories of this paper are: dg-ga
27
The categories of this paper are: comp-gas
11
The categories of this paper are: hep-lat
20
The categories of this paper are: acc-phys
30
The categories of this paper are: q-alg
31
The categories of this paper are: ao-sci
22
The categories of this paper are: chao-dyn
1
The categories of this paper are: cs
34
The categories of this paper are: chem-ph
33
The categories of this paper are: plasm-ph
35
The categories of this paper are: mtrl-th
26
The categories of this paper are: bayes-an
3
The categories of this paper are: physics
23
The categories of this paper are: solv-int
21
The categories of this paper are: adap-org