Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Construction and solution of a Wannier-functions based Hamiltonian in
  the pseudopotential plane-wave framework for strongly correlated materials   Ab initio determination of model Hamiltonian parameters for strongly
correlated materials is a key issue in applying many-particle theoretical tools
to real narrow-band materials. We propose a self-contained calculation scheme
to construct, with an ab initio approach, and solve such a Hamiltonian. The
scheme uses a Wannier-function-basis set, with the Coulomb interaction
parameter U obtained specifically for these Wannier functions via constrained
Density functional theory (DFT) calculations. The Hamiltonian is solved by
Dynamical Mean-Field Theory (DMFT) with the effective impurity problem treated
by the Quantum Monte Carlo (QMC) method. Our scheme is based on the
pseudopotential plane-wave method, which makes it suitable for developments
addressing the challenging problem of crystal structural relaxations and
transformations due to correlation effects. We have applied our scheme to the
"charge transfer insulator" material nickel oxide and demonstrate a good
agreement with the experimental photoemission spectra.

14
The categories of this paper are: math-ph
13
The categories of this paper are: quant-ph
24
The categories of this paper are: dg-ga
8
The categories of this paper are: hep-ex
12
The categories of this paper are: nucl-th
32
The categories of this paper are: atom-ph
37
The categories of this paper are: supr-con
18
The categories of this paper are: econ
25
The categories of this paper are: patt-sol
9
The categories of this paper are: nlin
10
The categories of this paper are: q-bio
27
The categories of this paper are: comp-gas
22
The categories of this paper are: chao-dyn
21
The categories of this paper are: adap-org
20
The categories of this paper are: acc-phys
26
The categories of this paper are: bayes-an