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arXiv:1302.5065 · International Journal of Modern Physics B

THE 1D HEISENBERG ANTIFERROMAGNET MODEL BY THE VARIATION AFTER PROJECTION METHOD

Aziz Rabhi, MARTA BRAJCZEWSKA, Peter Schuck, João da Providência, R. Bennaceur

Published May 9, 2013• 0 citations
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Abstract

The four site and eight site 1D anti-ferromagnetic Heisenberg chains in the Jordan–Wigner representation are investigated within the standard Hartree–Fock and random phase approximation (RPA) approaches, both in the symmetry unbroken and in the symmetry broken phases. A translation invariant groundstate, obtained by the projection method as a linear combination of a symmetry-broken HF state and its image under reflection, is also considered, for each chain type. It is found that the projection method considerably improves the HF treatment for instance as far as the groundstate energy is concerned, but also with respect to the RPA energies. The results are furthermore confronted with the ones obtained within so-called SCRPA scheme.

DOI
10.1142/s0217979213500586

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The four site and eight site 1D anti-ferromagnetic Heisenberg chains in the Jordan–Wigner representation are investigated within the standard Hartree–Fock and random phase approximation (RPA) approaches, both in the symmetry unbroken and in the symmetry broken phases. A translation invariant groundstate, obtained by the projection method as a linear combination of a symmetry-broken HF state and its image under reflection, is also considered, for each chain type. It is found that the projection method considerably improves the HF treatment for instance as far as the groundstate energy is concerned, but also with respect to the RPA energies. The results are furthermore confronted with the ones obtained within so-called SCRPA scheme.
The Hartree-Fock-RPA approach is applied to the 1D anti-ferromagnetic Heisenberg model in the Jordan-Wigner representation. Somewhat contrary to expectation, this leads to reasonable results for spectral functions and sum rules in the symmetry unbroken phase. In a preliminary application of Self-Consistent RPA to finite size chains strongly improved results are obtained. pacs: 75.40.Gb, 75.50.Ee, 75.10.Pq, 75.10.Jm The 1D Anti-Ferromagnetic Heisenberg Model (AFHM) [1] belongs to one of the most classic many body research fields. It was the first many-body model to be solved exactly by Bethe with his famous Bethe ansatz solution [2] and it has been a playground for testing and developing many body approaches ever since. In spite of tremendous progress in the understanding of many facets of the model, it continues to be a very active field of interest and research [3, 4]. In an attempt to apply extended RPA-like theories, as e.g. the recently developed Self-Consistent RPA (SCRPA) approach [5, 6], we found out, somewhat to our surprise, that even the standard RPA theory has so far not fully been developed in its application to the 1D-AFHM. This probably stems from the fact that the HF-RPA scheme is usually considered as unreliable in low dimensions [7]. However, it will be found that RPA shows interesting features even in this 1D-version of the model. On the other hand SCRPA shows very promising results in a number of cases [5] and in a first application for a small numbers of sites we here get very close agreement with results from exact diagonalization. We mostly consider the isotropic Heisenberg model with anti-ferromagnetic coupling, however some consideration will also be given to the anisotropic case, for instance to the
We apply the projected Hartree-Fock theory (PHF) for approximating ground states of Heisenberg spin clusters. Spin-rotational, point-group, and complex-conjugation symmetry are variationally restored from a broken-symmetry mean-field reference, where the latter corresponds to a product of local spin states. A fermionic formulation of the Heisenberg model furnishes a conceptual connection to PHF applications in quantum chemistry and detailed equations for a self-consistent field optimization of the reference state are provided. Different PHF variants are benchmarked for ground-state energies and spin-pair correlation functions of antiferromagnetic spin rings and three different polyhedra, with various values of the local spin-quantum number sss. Although PHF is not suitable to study the thermodynamic limit (where it reduces to the conventional HF results), the low computational cost and the compact wave-function representation make PHF a promising complement to existing approaches for ground states of finite spin clusters, particularly for large local spin sss and a moderately large number of sites NNN. The present work may also motivate future explorations of more accurate post-PHF methods for Heisenberg spin clusters.
High Resolution Image Download MS PowerPoint Slide Mapping spins to fermions via the Jordan–Wigner (JW) transformation can render mean-field (Hartree–Fock, HF) descriptions effective for strongly correlated spin systems. As established in recent work, the application of such approaches is not limited by the nonlocal structure of JW strings or by site ordering because string operators can be absorbed into Thouless rotations of a Slater determinant, and the variational optimization of a unitary Lie-algebraic similarity transformation removes any ordering dependence. Leveraging these ideas, we develop a self-consistent field (SCF) scheme that expresses the mean-field energy as a functional of the single-particle density matrix, providing an alternative to gradient-based optimization of Thouless parameters. We derive the analytical orbital Hessian to diagnose HF stability and compute the ground-state correlation energy through the random-phase approximation (RPA). Benchmark results for the XXZ and J 1 – J 2 model on one- and two-dimensional lattices demonstrate that RPA significantly improves mean-field accuracy.
The ground-state properties and spin excitation spectrum of the Heisenberg model are studied within the framework of the two-dimensional Jordan-Wigner theory. The mean-field state with the lowest energy is the magnetized \ensuremath{\pi}-flux state with a gap in the spin excitation spectrum. It is shown that this mean-field gap is decreased significantly by considering amplitude fluctuations in the random-phase approximation (RPA). The RPA ground-state energy and staggered magnetization are E0{\mathit{E}}_{0}E0​=-0.332J per bond and M=0.327, respectively, which are very close to the best numerical estimates. \textcopyright{} 1996 The American Physical Society.
Recent work on approximating ground states of Heisenberg spin clusters by projected Hartree–Fock theory (PHF) is extended to a cluster-based ansatz (cPHF). Whereas PHF variationally optimizes a site–spin product state for the restoration of spin- and point-group symmetry, cPHF groups sites into discrete clusters and uses a cluster-product state as the broken-symmetry reference. Intracluster correlation is thus already included at the mean-field level, and intercluster correlation is introduced through symmetry projection. Variants of cPHF differing in the broken and restored symmetries are evaluated for ground states and singlet-triplet gaps of antiferromagnetic spin rings for various cluster sizes, where cPHF in general affords a significant improvement over ordinary PHF, although the division into clusters lowers the cyclical symmetry. In contrast, certain two- or three-dimensional spin arrangements permit cluster groupings compatible with the full spatial symmetry. We accordingly demonstrate that cPHF yields approximate ground states with correct spin- and point-group quantum numbers for honeycomb lattice fragments and symmetric polyhedra.