Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated
  Regime   Over the course of the past few decades, the field of computational chemistry
has managed to manifest itself as a key complement to more traditional
lab-oriented chemistry. This is particularly true in the wake of the recent
renaissance of full configuration interaction (FCI)-level methodologies, albeit
only if these can prove themselves sufficiently robust and versatile to be
routinely applied to a variety of chemical problems of interest. In the present
series of works, performance and feature enhancements of one such avenue
towards FCI-level results for medium to large one-electron basis sets, the
recently introduced many-body expanded full configuration interaction (MBE-FCI)
formalism [J. Phys. Chem. Lett., 8, 4633 (2017)], will be presented.
Specifically, in this opening part of the series, the capabilities of the
MBE-FCI method in producing near-exact ground state energies for weakly
correlated molecules of any spin multiplicity will be demonstrated.

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The categories of this paper are: atom-ph
16
The categories of this paper are: stat
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The categories of this paper are: funct-an
36
The categories of this paper are: cmp-lg
2
The categories of this paper are: math
35
The categories of this paper are: mtrl-th
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The categories of this paper are: eess
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The categories of this paper are: acc-phys
22
The categories of this paper are: chao-dyn
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The categories of this paper are: plasm-ph
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The categories of this paper are: nlin
17
The categories of this paper are: q-fin
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The categories of this paper are: dg-ga
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The categories of this paper are: q-alg
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The categories of this paper are: solv-int
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The categories of this paper are: patt-sol