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Physical review. B, Condensed matter

Improved variational wave function for the two-dimensional spin-1/2 Heisenberg antiferromagnet

C. E. I. Carneiro, Xiangyu Kong, Robert H. Swendsen

Published Feb 1, 1994• 5 citations
Publisher

Abstract

We present a variational wave function for the ground state of the two-dimensional spin-1/2 Heisenberg antiferromagnet. It is a modification of a Monte Carlo variational wave function proposed by Huse and Elser which gives excellent results for the ground-state energy but breaks the rotational symmetry of the squared staggered magnetization. In their case the x component of the squared staggered magnetization (${\mathit{m}}_{\mathit{x}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$${)}^{2}$ is much larger than (${\mathit{m}}_{\mathit{y}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$${)}^{2}$ and (${\mathit{m}}_{\mathit{z}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$${)}^{2}$, which are the y and z components, respectively. In this paper we show how to restore the symmetry between ${\mathit{m}}_{\mathit{x}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$ and ${\mathit{m}}_{\mathit{y}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$. However, ${\mathit{m}}_{\mathit{z}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$ is still much smaller than ${\mathit{m}}_{\mathit{x}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$. We also study the enforcement of the full rotational symmetry in our trial wave function using only two spin interaction terms. Finally, we discuss how errors in Monte Carlo data affect the efficiency of algorithms which determine more systematically the best variational parameters for the ground-state wave function.

DOI
10.1103/physrevb.49.3303

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Physical review. B, Condensed matter•Sep 1, 1990•3 citations
We present a variational wave function for the ground state of the two-dimensional spin-1/2 Heisenberg antiferromagnet. It is a modification of a Monte Carlo variational wave function proposed by Huse and Elser which gives excellent results for the ground-state energy but breaks the rotational symmetry of the squared staggered magnetization. In their case the x component of the squared staggered magnetization ({\mathit{m}}_{\mathit{x}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$${)}^{2} is much larger than ({\mathit{m}}_{\mathit{y}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$${)}^{2} and ({\mathit{m}}_{\mathit{z}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$${)}^{2}, which are the y and z components, respectively. In this paper we show how to restore the symmetry between mx\ifmmode∘\else\textdegree\fi{\mathit{m}}_{\mathit{x}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}mx\ifmmode∘\else\textdegree\fi​ and my\ifmmode∘\else\textdegree\fi{\mathit{m}}_{\mathit{y}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}my\ifmmode∘\else\textdegree\fi​. However, mz\ifmmode∘\else\textdegree\fi{\mathit{m}}_{\mathit{z}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}mz\ifmmode∘\else\textdegree\fi​ is still much smaller than mx\ifmmode∘\else\textdegree\fi{\mathit{m}}_{\mathit{x}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}mx\ifmmode∘\else\textdegree\fi​. We also study the enforcement of the full rotational symmetry in our trial wave function using only two spin interaction terms. Finally, we discuss how errors in Monte Carlo data affect the efficiency of algorithms which determine more systematically the best variational parameters for the ground-state wave function.
We study the spin-1/2 Heisenberg antiferromagnet on a square lattice using variational Monte Carlo calculations. We construct a variational wave function which gives accurate ground-state energy and is consistent with sum rules for the dynamical structure function. The spin-wave velocity and the spin-stiffness constant can be calculated using sum rules. We obtain Zc{Z}_{c}Zc​==c/c0{c}_{0}c0​, where c0{c}_{0}c0​ is the classical spin-wave velocity. This and other ground-state quantities are in good agreement with spin-wave theory and Monte Carlo calculations.
The ground-state energy, staggered magnetization, and correlation function are computed for the two-dimensional spin-(1/2 quantum antiferromagnetic Heisenberg model (believed to be relevant to the high-temperature superconducting materials without doping) on lattices up to 24\ifmmode\times\else\texttimes\fi{}24 by Monte Carlo methods extrapolated to zero temperature. A more accurate value for the ground-state energy is determined by the method of Neumann and Ulam by extrapolating from lattices up to 12\ifmmode\times\else\texttimes\fi{}12.
The ground-state properties of the spin-(1/2 Heisenberg antiferromagnet on a square lattice are studied by using a simple variational wave function that interpolates continuously between the N\'eel state and short-range resonating-valence-bond states. Exact calculations of the variational energy for small systems show that the state with the lowest energy has long-range antiferromagnetic order. The staggered magnetization in this state is approximately 70% of its maximum possible value. The variational estimate of the ground-state energy is substantially lower than the value obtained for the nearest-neighbor resonating-valence-bond wave function.
The Green's-function Monte Carlo (GFMC) method is used to calculate very accurate ground-state energies of the two-dimensional, spin-1/2 Heisenberg antiferromagnet. The computations are performed on L\ifmmode\times\else\texttimes\fi{}L square lattices up to L=16 with varying uniform magnetization, which allows the extraction of the perpendicular susceptibility (\ensuremath{\chi}) and spin-wave velocity (c). These two quantities are the lattice- or cutoff-dependent parameters that allow one to map the long-wavelength properties of the antiferromagnet onto the nonlinear \ensuremath{\sigma} model and so are of general interest. Systematic errors present in previous GFMC calculations are addressed and corrected to yield results in excellent agreement with other numerical methods. I find, for the ground-state energy per site, -0.669 34(3); the susceptibility renormalization factor, ${\mathit{Z}}_{\mathrm{\ensuremath{\chi}}}$=0.535(5); and the spin-wave velocity renormalization factor, Zc{\mathit{Z}}_{\mathit{c}}Zc​=1.10(3). Finite-size effects in the extraction of Zc{\mathit{Z}}_{\mathit{c}}Zc​ and ${\mathit{Z}}_{\mathrm{\ensuremath{\chi}}}$ are discussed. The value of ${\mathit{Z}}_{\mathrm{\ensuremath{\chi}}}$ computed here is in agreement with the series-expansion results of Singh and of Zheng, Oitmaa, and Hamer, thereby clearing up a previous inconsistency between the series-expansion and quantum Monte Carlo predictions.
We have studied via a Green-function Monte Carlo (GFMC) method the S=(1/2 Heisenberg quantum antiferromagnet in two dimensions. We use a well-known transformation to map the spin problem onto a system of hard-core bosons that allows us to exploit interesting analogies between magnetism and superfluidity. The GFMC method is a zero-temperature stochastic method that projects out the component of the true ground state in a given variational wave function. This method is complementary to previously used finite-temperature Monte Carlo methods and is well suited to studying the ground state and low-lying excited states. Starting with even a simple wave function, e.g., the classical N\'eel state, the GFMC method can obtain the short-range correlations very accurately, and we find the ground-state energy per site E0{\mathit{E}}_{0}E0​/J=-0.6692(2). We show that it is important to include the zero-point motion of the elementary excitations in the ground state and by a spin-wave analysis find that it produces long-range correlations in the wave function. Upon inclusion of such long-range correlations, we obtain a staggered magnetization ${\mathit{m}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$=0.31(2) and the structure factor scrS(q)\ensuremath{\sim}q at long wavelengths. Using the Feynman-Bijl relation, from the slope we deduce the renormalization of the spin-wave velocity by quantum fluctuations to be Zc{\mathit{Z}}_{\mathit{c}}Zc​==c/cs{\mathit{c}}_{\mathit{s}}cs​=1.14(5).
We find the corrections to the conventional 1/S expansion for the spin-wave velocity in the two-dimensional S=1/2 Heisenberg antiferromagnet. We do this by solving exactly for the ground and excited states of small clusters of up to 25 spins. We use open boundary conditions with a staggered Weiss effective field consistent with the correct quantum Monte Carlo staggered magnetization MS{\mathit{M}}_{\mathit{S}}MS​=0.31. The numerical results are directly compared with the 1/S expansion for the same clusters. The exact spin-wave velocity is given by c=Z1.158 \ensuremath{\surd}2 Ja, where Z is within 2% of unity. Our best estimate gives Z\ensuremath{\approxeq}1.006.