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arXiv:0908.1376 · Journal of Statistical Physics

High-Order Coupled Cluster Method (CCM) Calculations for Quantum Magnets with Valence-Bond Ground States

DAMIAN J. J. FARNELL, Johannes Richter, Ronald Zinke, R. F. Bishop

Published Mar 13, 2009• 26 citations
arXivHTMLPDF
DOI
10.1007/s10955-009-9703-7

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A simple ``brute-force'' parallelisation procedure for the computational implementation of high-order coupled cluster method (CCM) calculations is presented here. This approach is investigated and illustrated by an application of high-order CCM to the Heisenberg antiferromagnet on the Kagomé lattice with nearest- and next-nearest-neighbour bonds. Ferromagnetic next-nearest-neighbour bonds are used to stabilise a model state which contains three sublattices in which the spins make angles of 120$^{\circ}$ to each other. Ground-state results for up to approximately 10000 fundamental clusters are presented, and our best estimate for the ground-state energy per spin of the spin-half Kagomé lattice antiferromagnet with only nearest-neighbour bonds is $E_g/N = -0.43104$. We believe that further increases (of at least another order of magnitude) in the number of fundamental clusters might be possible in future by using parallel processing techniques. The extension of high-order CCM calculations in order to consider non-Néel (e.g., dimer solid) model states, simulation of excitation spectra, lattice boson and fermion models, and finite-sized systems is very briefly considered.

arXiv:cond-mat/0311126•Nov 6, 2003•1 citation
We study the zero-temperature ground-state (GS) properties of the spin-1/2 anisotropic planar pyrochlore, using the coupled cluster method (CCM) implemented to high orders of approximation. The system comprises a J 1-J 2 model on the checkerboard lattice, with isotropic Heisenberg interactions of strength J 1 between all nearest-neighbour pairs of spins on the square lattice, and of strength J 2 between half of the next-nearest-neighbour pairs (in the checkerboard pattern). We calculate results for the GS energy and average local GS on-site magnetization, using various antiferromagnetic classical ground states as CCM model states. We also give results for the susceptibility of one of these states against the formation of crossed-dimer valence-bond crystalline (CDVBC) ordering. The complete GS phase diagram is presented for arbitrary values of the frustration parameter k≡J2/J1, and when each of the exchange couplings can take either sign.
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 an 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 only by using such a parallelized approach. An illustration of the new approach is presented for the ground-state properties of a magnetic material, CaV4O9{\mathrm{CaV}}_{4}{\mathrm{O}}_{9}CaV4​O9​.
A simple ``brute-force'' parallelisation procedure for the computational implementation of high-order coupled cluster method (CCM) calculations is presented here. This approach is investigated and illustrated by an application of high-order CCM to the Heisenberg antiferromagnet on the Kagomé lattice with nearest- and next-nearest-neighbour bonds. Ferromagnetic next-nearest-neighbour bonds are used to stabilise a model state which contains three sublattices in which the spins make angles of 120∘^{\circ}∘ to each other. Ground-state results for up to approximately 10000 fundamental clusters are presented, and our best estimate for the ground-state energy per spin of the spin-half Kagomé lattice antiferromagnet with only nearest-neighbour bonds is Eg/N=−0.43104E_g/N = -0.43104Eg​/N=−0.43104. We believe that further increases (of at least another order of magnitude) in the number of fundamental clusters might be possible in future by using parallel processing techniques. The extension of high-order CCM calculations in order to consider non-Néel (e.g., dimer solid) model states, simulation of excitation spectra, lattice boson and fermion models, and finite-sized systems is very briefly considered.