Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Laplace transformed MP2 for three dimensional periodic materials using
  stochastic orbitals in the plane wave basis and correlated sampling   We present an implementation and analysis of a stochastic high performance
algorithm to calculate the correlation energy of three dimensional periodic
systems in second-order M{\o}ller-Plesset perturbation theory (MP2). In
particular we measure the scaling behavior of the sample variance and probe
whether this stochastic approach is competitive if accuracies well below 1 meV
per valence orbital are required, as it is necessary for calculations of
adsorption, binding, or surface energies. The algorithm is based on the Laplace
transformed MP2 (LTMP2) formulation in the plane wave basis. The time-dependent
Hartree-Fock orbitals, appearing in the LTMP2 formulation, are stochastically
rotated in the occupied and unoccupied Hilbert space. This avoids a full
summation over all combinations of occupied and unoccupied orbitals, as
inspired by the work of D. Neuhauser, E. Rabani, and R. Baer in J. Chem. Theory
Comput. 9, 24 (2013). Additionally, correlated sampling is introduced,
accelerating the statistical convergence significantly.

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The categories of this paper are: ao-sci
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The categories of this paper are: adap-org
19
The categories of this paper are: eess
10
The categories of this paper are: q-bio
36
The categories of this paper are: cmp-lg
0
The categories of this paper are: hep-ph
33
The categories of this paper are: plasm-ph
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The categories of this paper are: funct-an
16
The categories of this paper are: stat
9
The categories of this paper are: nlin
20
The categories of this paper are: acc-phys
2
The categories of this paper are: math
35
The categories of this paper are: mtrl-th
5
The categories of this paper are: gr-qc
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The categories of this paper are: comp-gas
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The categories of this paper are: chem-ph