Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Global Solutions of Hartree-Fock Theory and their Consequences for
  Strongly Correlated Quantum Systems   We present a density matrix approach for computing global solutions of
Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper
and lower bounds on the Hartree-Fock energy of quantum systems. Equality of the
upper- and lower-bound energies guarantees that the computed solution is the
globally optimal solution of Hartree-Fock theory. For strongly correlated
systems the SDP approach requires us to reassess the accuracy of the
Hartree-Fock energies and densities from standard software packages for
electronic structure theory. Calculations of the H$_{4}$ dimer and N$_{2}$
molecule show that the energies from SDP Hartree-Fock are lower than those from
standard Hartree-Fock methods by 100-200 kcal/mol in the dissociation region.
The present findings have important consequences for the computation and
interpretation of electron correlation, which is typically defined relative to
the Hartree-Fock energy and density.

34
The categories of this paper are: chem-ph
22
The categories of this paper are: chao-dyn
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The categories of this paper are: mtrl-th
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The categories of this paper are: solv-int
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The categories of this paper are: funct-an
37
The categories of this paper are: supr-con
5
The categories of this paper are: gr-qc
21
The categories of this paper are: adap-org
0
The categories of this paper are: hep-ph
16
The categories of this paper are: stat
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The categories of this paper are: atom-ph
7
The categories of this paper are: hep-th
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The categories of this paper are: q-alg
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The categories of this paper are: acc-phys
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The categories of this paper are: dg-ga
4
The categories of this paper are: cond-mat