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High-Order Coupled Cluster Calculations Via Parallel Processing: An Illustration For CaV$_4$O$_9$

Strongly Correlated Electrons 2009-11-11 v1 Materials Science

Abstract

The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of arbitrary spatial dimensionality. Here we present a significant extension of the method by introducing a new approach that allows an efficient parallelization of computer codes that carry out ``high-order'' CCM calculations. We find that we are able to extend such CCM calculations by an order of magnitude higher than ever before utilized in a high-order CCM calculation for an antiferromagnet. Furthermore, we use only a relatively modest number of processors, namely, eight. Such very high-order CCM calculations are possible {\it only} by using such a parallelized approach. An illustration of the new approach is presented for the ground-state properties of a highly frustrated two-dimensional magnetic material, CaV4_4O9_9. Our best results for the ground-state energy and sublattice magnetization for the pure nearest-neighbor model are given by Eg/N=0.5534E_g/N=-0.5534 and M=0.19M=0.19, respectively, and we predict that there is no N\'eel ordering in the region 0.2J2/J10.70.2 \le J_2/J_1 \le 0.7. These results are shown to be in excellent agreement with the best results of other approximate methods.

Keywords

Cite

@article{arxiv.cond-mat/0511544,
  title  = {High-Order Coupled Cluster Calculations Via Parallel Processing: An Illustration For CaV$_4$O$_9$},
  author = {D. J. J. Farnell and J. Schulenburg and J. Richter and K. A. Gernoth},
  journal= {arXiv preprint arXiv:cond-mat/0511544},
  year   = {2009}
}

Comments

4 pages

R2 v1 2026-07-22T11:25:37.021Z