Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Fast and accurate molecular Hartree-Fock with a finite-element multigrid
  method   We present a multigrid scheme for the solution of finite-element Hartree-Fock
equations for diatomic molecules. It is shown to be fast and accurate, the time
effort depending linearly on the number of variables. Results are given for the
molecules LiH, BH, N_2 and for the Be atom in our molecular grid which agrees
very well with accurate values from an atomic code. Highest accuracies were
obtained by applying an extrapolation scheme; we compare with other numerical
methods. For N_2 we get an accuracy below 1 nHartree.

35
The categories of this paper are: mtrl-th
12
The categories of this paper are: nucl-th
28
The categories of this paper are: alg-geom
5
The categories of this paper are: gr-qc
10
The categories of this paper are: q-bio
0
The categories of this paper are: hep-ph
11
The categories of this paper are: hep-lat
31
The categories of this paper are: ao-sci
37
The categories of this paper are: supr-con
27
The categories of this paper are: comp-gas
2
The categories of this paper are: math
33
The categories of this paper are: plasm-ph
22
The categories of this paper are: chao-dyn
26
The categories of this paper are: bayes-an
24
The categories of this paper are: dg-ga
30
The categories of this paper are: q-alg