Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Auxiliary-field quantum Monte Carlo calculations of the structural
  properties of nickel oxide   Auxiliary-field quantum Monte Carlo (AFQMC) has repeatedly demonstrated
itself as one of the most accurate quantum many-body methods, capable of
simulating both real and model systems. In this article we investigate the
application of AFQMC to realistic strongly correlated materials in periodic
Gaussian basis sets. Using nickel oxide (NiO) as an example, we investigate the
importance of finite size effects and basis set errors on the structural
properties of the correlated solid. We provide benchmark calculations for NiO
and compare our results to both experiment measurements and existing
theoretical methods. (LLNL-JRNL-752156)

34
The categories of this paper are: chem-ph
14
The categories of this paper are: math-ph
20
The categories of this paper are: acc-phys
8
The categories of this paper are: hep-ex
22
The categories of this paper are: chao-dyn
5
The categories of this paper are: gr-qc
12
The categories of this paper are: nucl-th
1
The categories of this paper are: cs
21
The categories of this paper are: adap-org
10
The categories of this paper are: q-bio
13
The categories of this paper are: quant-ph
15
The categories of this paper are: nucl-ex
33
The categories of this paper are: plasm-ph
7
The categories of this paper are: hep-th
26
The categories of this paper are: bayes-an
28
The categories of this paper are: alg-geom