Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Analytic continuation-free Green's function approach to correlated
  electronic structure calculations   We present a new charge self-consistent scheme combining Density Functional
and Dynamical Mean Field Theory, which uses Green's function of multiple
scattering-type. In this implementation the many-body effects are incorporated
into the Kohn-Sham iterative scheme without the need for the numerically
ill-posed analytic continuation of the Green's function and of the self-energy.
This is achieved by producing the Kohn-Sham Hamiltonian in the sub-space of
correlated partial waves and allows to formulate the Green's function directly
on the Matsubara axis. The spectral moments of the Matsubara Green's function
enable us to put together the real space charge density, therefore the charge
self-consistency can be achieved. Our results for the spectral functions
(density of states) and equation of state curves for transition metal elements,
Fe, Ni and FeAl compound agree very well with those of Hamiltonian based
LDA+DMFT implementations. The current implementation improves on numerical
accuracy, requires a minimal effort besides the multiple scattering formulation
and can be generalized in several ways that are interesting for applications to
real materials.

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The categories of this paper are: quant-ph
1
The categories of this paper are: cs
11
The categories of this paper are: hep-lat
17
The categories of this paper are: q-fin
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The categories of this paper are: eess
23
The categories of this paper are: solv-int
22
The categories of this paper are: chao-dyn
35
The categories of this paper are: mtrl-th
34
The categories of this paper are: chem-ph
32
The categories of this paper are: atom-ph
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The categories of this paper are: acc-phys
26
The categories of this paper are: bayes-an
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The categories of this paper are: supr-con
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The categories of this paper are: econ
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The categories of this paper are: q-alg
2
The categories of this paper are: math