Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A Density-Based Basis-Set Correction For Wave Function Theory   We report a universal density-based basis-set incompleteness correction that
can be applied to any wave function method. The present correction, which
appropriately vanishes in the complete basis set (CBS) limit, relies on
short-range correlation density functionals (with multi-determinant reference)
from range-separated density-functional theory (RS-DFT) to estimate the
basis-set incompleteness error. Contrary to conventional RS-DFT schemes which
require an \textit{ad hoc} range-separation \textit{parameter} $\mu$, the key
ingredient here is a range-separation \textit{function} $\mu(\bf{r})$ that
automatically adapts to the spatial non-homogeneity of the basis-set
incompleteness error. As illustrative examples, we show how this density-based
correction allows us to obtain CCSD(T) atomization and correlation energies
near the CBS limit for the G2 set of molecules with compact Gaussian basis
sets.

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The categories of this paper are: hep-ex
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The categories of this paper are: eess
32
The categories of this paper are: atom-ph
25
The categories of this paper are: patt-sol
5
The categories of this paper are: gr-qc
30
The categories of this paper are: q-alg
22
The categories of this paper are: chao-dyn
10
The categories of this paper are: q-bio
35
The categories of this paper are: mtrl-th
33
The categories of this paper are: plasm-ph
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The categories of this paper are: quant-ph
9
The categories of this paper are: nlin
29
The categories of this paper are: funct-an
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The categories of this paper are: q-fin
36
The categories of this paper are: cmp-lg
28
The categories of this paper are: alg-geom