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Physical review. B, Condensed matter

Correlated-basis-function analysis of the transverse Ising model

MANFRED L. RISTIG, J. W. Kim

Published Mar 1, 1996• 20 citations
Publisher

Abstract

Correlated-basis-function (CBF) theory, which has provided a firm foundation for ab initio calculations of the properties of quantum fluids such as liquid $^{4}\mathrm{He}$, is adapted and applied at the Jastrow-Feenberg variational level to give an optimized description of the structure and of the elementary excitations of the Ising-spin model in a transverse magnetic field. A set of trial wave functions of Hartree-Jastrow form is assumed to describe the spatial correlations present in the ordered as well as the disordered ground states, and the Feynman Ansatz is consistently adopted to represent the elementary magnon states. The CBF analysis of the spin system employs the hypernetted-chain (HNC) formalism for a substitutional binary mixture of bosons and derives HNC equations for the spatial distribution functions which determine the ground-state energy expectation value. Functional variation of this quantity with respect to the magnetic order parameter and the trial states leads to two Euler-Lagrange equations, which may be interpreted as a renormalized Hartree equation for the optimal magnetization and as a paired-magnon equation for the magnetic correlation function that is analogous to the familiar paired-phonon equation for conventional quantum fluids.Numerical calculations are based on simple cubic lattices and an optimized nearest-neighbor Ansatz for the generating pseudopotential. Results are reported on the order parameter, the energy per lattice site, the transverse magnetization, and the magnon excitation energies as functions of the coupling parameter 0\ensuremath{\le}\ensuremath{\lambda}\ensuremath{\le}\ensuremath{\infty} measuring the strength of the transverse magnetic field. We also present numerical results on the magnetic correlation function, the static structure function, and the correlation length. The system exhibits a second-order phase transition at a critical value ${\ensuremath{\lambda}}_{\mathit{c}}$ of the coupling strength. Our numerical calculations of the optimal order parameter yields ${\ensuremath{\lambda}}_{\mathit{c}}$\ensuremath{\simeq}5.17 for a simple cubic lattice and ${\ensuremath{\lambda}}_{\mathit{c}}$\ensuremath{\simeq}3.12 for a square planar lattice. The calculated data are in very good agreement with results derived from perturbation expansions in conjunction with Pad\'e techniques. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physrevb.53.6665

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Correlated-basis-function (CBF) theory, which has provided a firm foundation for ab initio calculations of the properties of quantum fluids such as liquid 4He^{4}\mathrm{He}4He, is adapted and applied at the Jastrow-Feenberg variational level to give an optimized description of the structure and of the elementary excitations of the Ising-spin model in a transverse magnetic field. A set of trial wave functions of Hartree-Jastrow form is assumed to describe the spatial correlations present in the ordered as well as the disordered ground states, and the Feynman Ansatz is consistently adopted to represent the elementary magnon states. The CBF analysis of the spin system employs the hypernetted-chain (HNC) formalism for a substitutional binary mixture of bosons and derives HNC equations for the spatial distribution functions which determine the ground-state energy expectation value. Functional variation of this quantity with respect to the magnetic order parameter and the trial states leads to two Euler-Lagrange equations, which may be interpreted as a renormalized Hartree equation for the optimal magnetization and as a paired-magnon equation for the magnetic correlation function that is analogous to the familiar paired-phonon equation for conventional quantum fluids.Numerical calculations are based on simple cubic lattices and an optimized nearest-neighbor Ansatz for the generating pseudopotential. Results are reported on the order parameter, the energy per lattice site, the transverse magnetization, and the magnon excitation energies as functions of the coupling parameter 0\ensuremath{\le}\ensuremath{\lambda}\ensuremath{\le}\ensuremath{\infty} measuring the strength of the transverse magnetic field. We also present numerical results on the magnetic correlation function, the static structure function, and the correlation length. The system exhibits a second-order phase transition at a critical value \ensuremathλc{\ensuremath{\lambda}}_{\mathit{c}}\ensuremathλc​ of the coupling strength. Our numerical calculations of the optimal order parameter yields \ensuremathλc{\ensuremath{\lambda}}_{\mathit{c}}\ensuremathλc​\ensuremath{\simeq}5.17 for a simple cubic lattice and \ensuremathλc{\ensuremath{\lambda}}_{\mathit{c}}\ensuremathλc​\ensuremath{\simeq}3.12 for a square planar lattice. The calculated data are in very good agreement with results derived from perturbation expansions in conjunction with Pad'e techniques. \textcopyright{} 1996 The American Physical Society.
The method of correlated basis functions (CBF) is applied at the variational level to the transverse Ising model in two and three spatial dimensions (D=2,3). The model consists of Pauli spins arranged on a simple square or cubic lattice, experiencing nearest-neighbor interactions through their x components and subject to a transverse field in the z direction of strength λ. Working at zero temperature, full optimization of a Hartree-Jastrow trial wave function is performed by solving two Euler-Lagrange equations, namely a renormalized Hartree equation for the order parameter characterizing the ferromagnetic phase and a paired-magnon equation for the optimal two-spin spatial distribution function. The optimized trial wave function yields a second-order transition with a numerically determined critical coupling of λc=3.14(D=2) or λc= 5.10(D=3). Numerical results have been obtained for the magnetization order parameter, the energy per spin and its potential component, the static structure function at zero wave number, and the magnon energy gap corresponding to a Feynman description of the elementary excitations. Correlated density matrix theory provides for a natural extension of this approach to finite temperature.
The method of correlated basis functions is applied at the variational level to the Ising model consisting of Pauli spins arranged on a simple cubic lattice, experiencing nearest-neighbor interactions through their xxx components and subject to a transverse field in the zzz direction of strength $\ensuremath{\lambda}$. Full optimization of a Hartree-Jastrow trial wave function is performed by solving two Euler-Lagrange equations: a renormalized Hartree equation for the order parameter characterizing the ferromagnetic phase and a paired-magnon equation for the optimal two-spin spatial distribution function. The optimized trial wave function yields a second-order transition with a numerically determined critical coupling of ${\ensuremath{\lambda}}_{c}=5.10$. Explicit results are presented for (i) the magnetization order parameter, (ii) the energy per spin and its potential component, (iii) the static structure function at zero wave number, (iv) the spin-exchange strength, and (v) the magnon energy gap corresponding to a Feynman description of the elementary excitations.
In this article, the correlated basis-function (CBF) method is applied for the first time to the quantum spin-half XY model on the linear chain, the square lattice, and the simple cubic lattice. In this treatment of the quantum spin-half XY model a Jastrow ansatz is utilised to approximate the ground-state wave function. Results for the ground-state energy and the sublattice magnetisation are presented, and evidence that the CBF detects the quantum phase transition point in this model is also presented. The CBF results are compared to previous coupled cluster method (CCM) results for the spin-half XY model, and the two formalisms are then compared and contrasted. In this paper we consider the T = 0 properties of the quantum spin system known as the spin-half XY model, described by the Hamiltonian
Ground-state properties of nuclear-spin-aligned deuterium are studied within the method of correlated basis functions (CBF), using Fermi-hypernetted-chain (FHNC) techniques to evaluate the requisite matrix elements of the Hamiltonian and identity attendant to a Jastrow choice of correlation operator. Results are presented for the ground-state energies of three hypothetical species of this system, calculated to low order in CBF perturbation theory, taking account of two- and three-body CBF effective interactions. Also included are data on the Jastrow momentum distribution and radial distribution function, computed using the FHNC scheme. These findings are supplemented by benchmark variational Monte Carlo results on the energy and radial distribution function. The three deuterium species provide examples of strongly interacting Fermi fluids, intermediate in coupling strength between nuclear matter and liquid 3He^{3}\mathrm{He}3He.
Within the framework of the variational theory for strongly interacting Bose liquids, we study the optimal determination of three-body correlation factors. The Euler-Lagrange equation for the three-body correlations suggests an iterative procedure in which the three-body correlation factor is expressed as a series of diagrams containing only the pair distribution function. The long-wavelength behavior of the three-body structure function agrees formally with the prediction of quantum hydrodynamics. The simplest approximation for the optimized three-body correlation function is identical to the prediction of second-order correlated-basis-function perturbation theory. We show that this simplest approximation sums essentially the same sets of diagrams that are included in non-optimized hypernetted-chain calculations with three-body correlations. Along with the three-body correlations we include those elementary diagrams of fourth and fifth order which have a comparable topological structure. The predictions for the ground-state energy and the pair distribution function are substantially improved compared with hypernetted-chain calculations restricted to two-body correlations.
In this article, the correlated basis-function (CBF) method is applied for the first time to the quantum spin-half {\it XY} model on the linear chain, the square lattice, and the simple cubic lattice. In this treatment of the quantum spin-half {\it XY} model a Jastrow ansatz is utilised to approximate the ground-state wave function. Results for the ground-state energy and the sublattice magnetisation are presented, and evidence that the CBF detects the quantum phase transition point in this model is also presented. The CBF results are compared to previous coupled cluster method (CCM) results for the spin-half {\it XY} model, and the two formalisms are then compared and contrasted.