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arXiv:nucl-th/9605009 · Physical Review C

Path integral variational methods for strongly correlated systems

T.S. Walhout, R. Cenni, Adelchi Fabrocini, Stefano Fantoni

Published Oct 1, 1996• 4 citations
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Abstract

We introduce an alternative approach to highly correlated systems that generalizes the Fermi hypernetted chain and correlated basis function techniques. While the latter approaches can be applied only to systems for which a nonrelativistic wave function can be defined, the present approach is based on the variation of a trial Hamiltonian within a path-integral framework and thus can be applied also to relativistic and field theoretical problems. We derive a diagrammatic scheme for the present approach and show how a particular choice of trial Hamiltonian corresponds exactly to the use of a Jastrow correlated ansatz for the wave function in the Fermi hypernetted chain approach. We show how our approach can be used to find upper bounds to ground-state energies in systems that the Fermi hypernetted chain approach cannot handle, including those described by an energy-dependent effective Hamiltonian. We demonstrate our approach by applying it to a quantum field theoretical system of interacting pions and nucleons. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physrevc.54.1622

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We introduce an alternative approach to highly correlated systems that generalizes the Fermi hypernetted chain and correlated basis function techniques. While the latter approaches can be applied only to systems for which a nonrelativistic wave function can be defined, the present approach is based on the variation of a trial Hamiltonian within a path-integral framework and thus can be applied also to relativistic and field theoretical problems. We derive a diagrammatic scheme for the present approach and show how a particular choice of trial Hamiltonian corresponds exactly to the use of a Jastrow correlated ansatz for the wave function in the Fermi hypernetted chain approach. We show how our approach can be used to find upper bounds to ground-state energies in systems that the Fermi hypernetted chain approach cannot handle, including those described by an energy-dependent effective Hamiltonian. We demonstrate our approach by applying it to a quantum field theoretical system of interacting pions and nucleons. \textcopyright{} 1996 The American Physical Society.
The Fermi hypernetted-chain (FHNC) theory is applied to spin-density-wave states combined with a Jastrow-type correlation operator. The commonly used approximation scheme FHNC/n is found to be unsuitable for dealing with this class of correlated wave functions. A new scheme, named FHNC-n, is proposed, and numerically tested for the one-dimensional (1D) Hubbard model and the Gutzwiller correlation operator. The results obtained are in very good agreement with the available variational Monte Carlo calculation. This scheme can be used to study 2D and 3D Hubbard models and can easily be extended to treat more general correlation operators, which include triplet and quartet correlations.
The description of Fermi systems based on Correlated Basis Functions (CBF) is a natural extension of the variational approach, in which the trial ground state wave function is written in the form. The main problem associated with the neglect, or the approximate treatment, of elementary diagrams is the possible violation of the variational principle, which may become significant at high density. Besides the capability to systematically improve upon the variational estimates of the ground-state energy, the CBF formalism provides a consistent framework to carry out calculations of different nuclear matter properties. In CBF perturbation theory, one has to evaluate matrix elements of the bare nuclear Hamiltonian, the effects of correlations being taken into account by the transformation of the basis states describing the non interacting system. However, the same result can in principle be obtained transforming the Hamiltonian, and using the Fermi gas basis.
A scheme of optimization of a trial wave function in the variational Monte Carlo calculation is developed. It provides a more precise description of the ground state for strongly correlated electronic systems with highly improved trial wave function. A general type of variational wave function constructed from a linear combination of Slater determinants multiplied by Jastrow correlation factors is proposed. They can explicitly contain low-energy fluctuations and long-range correlations. Using this optimization method, we examine the properties of these wave functions by applying them to a one-dimensional Hubbard model for which the exact solution is available for comparison. It is found that these wave functions prove to be substantial improvements compared to the conventional Jastrow-type wave functions.
We study many-body correlations in the ground state of a general quantum system of bosons or fermions by including an additional Jastrow function in our recently proposed variational coupled-cluster method. Our approach combines the advantages of state-dependent correlations in the coupled-cluster theory and of the strong, short-ranged correlations of the Jastrow function. We apply a generalized linked-cluster expansion for the Jastrow wave function and provide a detailed analysis for practical evaluation of the Hamiltonian expectation value as an energy functional of the Jastrow function and the bare density-distribution functions introduced and calculated in our earlier publications; a simple, first-order energy functional is derived and detailed formulas for the higher-order contributions are provided. Our energy functional does not suffer the divergence as most coupled-cluster calculations often do when applying to Hamiltonians with hardcore potentials. We also discuss possible applications of our technique, including applications to strongly correlated fermion systems.
We report a theoretical analysis of variational wave functions for the BCS pairing problem. Starting with a Jastrow-Feenberg (or, in a more recent language "fixed-node") wave function for the superfluid state, we develop the full optimized Fermi-Hypernetted Chain (FHNC-EL) equations which sum a local approximation of the parquet-diagrams. Close examination of the procedure reveals that it is essential to go beyond the usual Jastrow-Feenberg approximation to guarantee the correct stability range.