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Physical Review Letters

Coherent State Wave Function for Systems with Spin-Dependent Correlations

John W. Lawson, S. A. Vitiello, Kevin E. Schmidt, Stefano Fantoni

Published Mar 10, 1997• 3 citations
Publisher

Abstract

We propose a variational wave function which uses coherent states to represent the spin state of particles, and describes systems with spin-dependent correlations. Spin states are parametrized by a continuous variable that looks like a classical spin vector. Correlation operators are represented as simple integrals, without commutator terms, which can be evaluated using standard or Monte Carlo techniques. Explicit calculations on liquid ${}^{3}$He using our wave function give good agreement with standard methods. Applications to systems in condensed matter and nuclear physics are discussed.

DOI
10.1103/physrevlett.78.1846

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We propose a variational wave function which uses coherent states to represent the spin state of particles, and describes systems with spin-dependent correlations. Spin states are parametrized by a continuous variable that looks like a classical spin vector. Correlation operators are represented as simple integrals, without commutator terms, which can be evaluated using standard or Monte Carlo techniques. Explicit calculations on liquid 3{}^{3}3He using our wave function give good agreement with standard methods. Applications to systems in condensed matter and nuclear physics are discussed.
A new class of variational wave functions describing many-body systems with spin-dependent correlations is used to study solid 3 He. The idea of spin coherent states is used to construct a variational coherent-state wave function for solid 3 He as an antisymmetrized Jastrow-Nosanow wave function that also contains spin-dependent correlations. We investigate this wave function by a variational Monte Carlo method. The addition of triplet (three-body) correlations produces a ground-state energy per particle that is a considerable improvement upon other variational results, but still appreciable discrepancies with the experiment remain. We speculate that such discrepancies point to a non-negligible effect of more-than-three-body correlations for both liquid and solid 3 He.
"A theory is developed to allow the systematic calculation of the properties of quantum fluids given the microscopic two-body potential. Physical arguments are used to construct a correlation operator that approximately transforms the states of a non-interacting system into the corresponding states of the interacting-system. The theory can be regarded as a microscopic realization of Landau's assumption of a one-to-one correspondence between the non-interacting and interacting states. It is variational since the correlation operator is determined by minimizing E(p) the expectation value of the ground-state energy. We first give a survey of various other many-body theories including the simpler Jastrow variational method. Differential equations are derived to calculate the correlation operator and the related Jastrow correlation"" function. A comparison of results in several Bose systems with various methods is given. The Fermi hypernetted chain integral equations are generalized to allow the calculation of E(p) in Fermi systems, using the correlation operator wave function. The method is applied to liquid 3He and the v2-model of nuclear matter. In 3He the correlation operator gives results in much closer agreement with experiment than that with the Jastrow wave function. A new set of hypernetted chain equations are then derived to allow the calculation of the excited st;ate energies in Bose systems. The theory is then applied to the calculation of the single quasi-particle excitation spectrum of liquid 4He. The spectrum is found to be a stringent test on the form of the correlation operator, deficiencies in the correlation operator giving corresponding errors in the spectrum. Good results are obtained for the density dependence of the roton energy. A variational principle for the free energy is used to generalize the correlation operator technique to finite temperatures. Results are given for the finite temperature properties of the v8-model of nuclear matter."
On the basis of the path integral representation of the partition function of a quantum spin system, which is derived by Lieb with use of the Bloch coherent state representation, we propose a new Monte Carlo method for quantum spin systems. In this method, the magnitude S of the spin can be varied freely, because S appears in the path integral only as a parameter. The approximation used in this method can be systematically improved by the 1/n-expansion, where n is the additional dimension in the path integral representation. The formulation and some properties of the method are discussed. Simple examples of the application of the method are also presented.
Quantum mechanical systems of strongly interacting particles in two dimensions comprise a realm of condensed matter physics for which there remain many unanswered theoretical questions. In particular, the most formidable challenges may lie in cases where the ground states show no signs of ordering, break no symmetries, and support many gapless excitations. Such systems are known to exhibit exotic, disordered ground states that are notoriously difficult to study analytically using traditional perturbation techniques or numerically using the most recent methods (e.g., tensor network states) due to the large amount of spatial entanglement. Slave particle descriptions provide a glimmer of hope in the attempt to capture the fundamental, low-energy physics of these highly non-trivial phases of matter. To this end, this dissertation describes the construction and implementation of trial wave functions for use with variational Monte Carlo techniques that can easily model slave particle states. While these methods are extremely computationally tractable in two dimensions, we have applied them here to quasi-one-dimensional systems so that the results of other numerical techniques, such as the density matrix renormalization group, can be directly compared to those determined by the trial wave functions and so that exclusively one-dimensional analytic approaches, namely bosonization, can be employed. While the focus here is on the use of variational Monte Carlo, the sum of these different numerical and analytical tools has yielded a remarkable amount of insight into several exotic quantum ground states. In particular, the results of research on the d-wave Bose liquid phase, an uncondensed state of strongly correlated hard-core bosons living on the square lattice whose wave function exhibits a d-wave sign structure, and the spin Bose-metal phase, a spin-1/2, SU(2) invariant spin liquid of strongly correlated spins living on the triangular lattice, will be presented. Both phases support gapless excitations along surfaces in momentum space in two spatial dimensions and at incommensurate wave vectors in quasi-one dimension, where we have studied them on three- and four-leg ladders. An extension of this work to the study of d-wave correlated itinerant electrons will be discussed.
The hypotheticai system of nucleons known as nuclear matter provides a very interesting field of study with relevance to both nuclear physics and astrophysics. The task of finding nucleon-nucleon potentials that explain the empirical properties of nuclear matter, as well as the two-body data, has been hampered by the lack of an adequate many-body theory for treating the complicated forces involved. Realistic nucleon-nucleon potentials have strong spin, isospin, tensor and spin-orbit components which induce correspondingly strong correlations in nuclear matter. In this thesis we present a variational theory designed to cope with these complicated correlations. To place the theory in perspective we give an overview of several different many-body theories and compare their predictions in the somewhat simpler systems of the 4He and 3He liquids, and for a simple central potential model of nuclear matter. The variational theory is then developed, starting with the choice of wave function. A generalized Jastrow product of two-body correlation functions containing central, spin, isospin, tensor, and spin-orbit operators is used. The correlation function is generated by a series of two-body Schrodinger equations with boundary conditions which require the wave function to heal at a distance d. The wave function is parameterized by d and by the magnitudes of the non-central correlations. Expectation values with variational wave functions of the Jastrow type may be studied conveniently with generalized Mayer diagrams. Diagram rules are given and a general diagrammatic cluster expansion is derived. It is an expansion in powers of commutators of the non-central operators, and in their absence reduces to the usual Mayer cluster expansion. Evaluation of diagrams in the cluster expansion is complicated by the presence of the non-commuting operators. Some simple rules and useful methods for calculating the contribution due to the central, spin, isospin, and tensor operators are given. Spin-orbit operators are neglected beyond this point, but the approach used is extendible to them. Large classes of diagrams contributing to an expectation value can be summed by means of integral equations. The development of single chain, hypernetted chain, and Fermi hypernetted chain (FHNC) equations for central correlations is reviewed. The chain summation methods are extended to sum single operator chains (SOC) for the non-central operators. Methods are also given for treating the leading commutator corrections in the expansi0n by simple vertex factors. The energy expectation value for potentials with six operators are evaluated using the FHNC/SOC functions, with an exact treatment of the commutators involved. The energy is found to have a minimum with respect to variations in all parameters. Results of calculations with model potentials based on the Reid, Bethe-Johnson, Hamada-Johnston, and Gammel-Thaler potentials are reported. A crude estimate of the effect of the neglected spin-orbit potentials on the nuclear matter binding energy and saturation density indicates that it could be significant. A correct treatment of the spin-orbit potentials is the next major step that should be taken.