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arXiv:nucl-th/0205029 · Physical Review C

Random phase approximation vs exact shell-model correlation energies

Ionel Stetcu, Calvin W. Johnson

Published Sep 3, 2002• 37 citations
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Abstract

The random phase approximation (RPA) builds in correlations left out by mean-field theory. In full $0\ensuremath{\Elzxh}\ensuremath{\omega}$ shell-model spaces we calculate the Hartree-Fock $(\mathrm{HF})+\mathrm{RPA}$ binding energy, and compare it to exact diagonalization. We find that often, but not always, the $\mathrm{HF}+\mathrm{RPA}$ gives a good approximation to the ``exact'' ground state energy. In those cases where the RPA is less satisfactory, however, there is no obvious correlation with properties of the HF state, such as deformation or overlap with the exact ground state wave function. This weakens the reliability of the RPA for computing binding energies.

DOI
10.1103/physrevc.66.034301

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The random phase approximation (RPA) builds in correlations left out by mean-field theory. In full 0\ensuremath\Elzxh\ensuremathω0\ensuremath{\Elzxh}\ensuremath{\omega}0\ensuremath\Elzxh\ensuremathω shell-model spaces we calculate the Hartree-Fock (HF)+RPA(\mathrm{HF})+\mathrm{RPA}(HF)+RPA binding energy, and compare it to exact diagonalization. We find that often, but not always, the HF+RPA\mathrm{HF}+\mathrm{RPA}HF+RPA gives a good approximation to the ``exact'' ground state energy. In those cases where the RPA is less satisfactory, however, there is no obvious correlation with properties of the HF state, such as deformation or overlap with the exact ground state wave function. This weakens the reliability of the RPA for computing binding energies.
We calculate the ground-state expectation value of scalar observables in the matrix formulation of the random phase approximation (RPA). Our expression, derived using the quasiboson approximation, is a straightforward generalization of the RPA correlation energy. We test the reliability of our expression by comparing against full diagonalization in $0\ensuremath{\Elzxh}\ensuremath{\omega}$ shell-model spaces. In general the RPA values are an improvement over mean-field (Hartree-Fock) results, but are not always consistent with shell-model results. We also consider exact symmetries broken in the mean-field state and whether or not they are restored in RPA.
The Hartree-Fock approximation to the many-fermion problem can break exact symmetries, and in some cases by changing a parameter in the interaction one can drive the Hartree-Fock minimum from a symmetry-breaking state to a symmetry-conserving state (also referred to as a ``phase transition'' in the literature). The order of the transition is important when one applies the random-phase approximation (RPA) to the of the Hartree-Fock wave function: if first order, RPA is stable through the transition, but if second-order, then the RPA amplitudes become large and lead to unphysical results. The latter is known as ``collapse'' of the RPA. While the difference between first- and second-order transitions in the RPA was first pointed out by Thouless, we present for the first time nontrivial examples of both first- and second-order transitions in a uniform model, the interacting shell-model, where we can compare to exact numerical results.
In this article, we revisit the question of the validity of Hartree-Fock and random-phase approximations. We show that there is a connection between the two and while the RPA as it is known in much of the physics literature is of limited validity, there is a generalised sense in which the random phase approximation is of much wider applicability including to systems that do not possess Fermi surfaces. The main conclusion is that the Hartree-Fock approximation is a mean-field idea applied to the density operator, and the random-phase approximation is a mean-field idea applied to the number operator. The generalised RPA is used to compute single-particle properties such as momentum distribution and spectral functions. It is found that we have to go beyond the generalised RPA and include fluctuations in the momentum distribution in order to recover a nonzero imaginary part of the one-particle self energy, which is also explicitly computed, all this in any number of spatial dimensions and no bosonization is needed.
The random phase approximation (RPA), the renormalized RPA (RRPA), and the self-consistent RPA (SCRPA) methods are applied to calculate the wave functions of the ground and excited states of an exactly solvable model. The approximated wave functions are expanded in the basis of the exact solutions. It is found that, when the RPA collapses, the RPA wave functions are orthogonal to the exact solutions while the RRPA and SCRPA ones have small but finite overlaps with the exact results. In spite of the apparently good agreement between the results of the RRPA, the SCRPA, and the exact solution, for the energy of the first excited state beyond the point of collapse, it is found that these approximations do not correctly describe the exact wave functions.
The ground-state energy and static and dynamic correlation functions are investigated in the inhomogeneous-Hartree-Fock (IHF) plus random-phase-approximation (RPA) approach applied to a one-dimensional spinless-fermion model showing self-trapped doping states at the mean-field level. Results are compared with those obtained using homogeneous HF and exact diagonalization. RPA fluctuations added to the generally inhomogeneous-HF ground state allow the computation of dynamical correlation functions that compare well with exact diagonalization results. The RPA correction to the ground-state energy agrees well with the exact results at strong- and weak-coupling limits. We also compare it with a related quasiboson approach. The instability towards self-trapped behavior is signaled by a RPA mode with frequency approaching zero.
Analogies and differences between the random phase approximation (RPA) and the Gaussian approximation at finite temperature are discussed. A comparison is made for Hartree and Hartree-Fock temperature dependent mean fields. Some ambiguities, in the definition of the Hartree mean field and in the relative correction, are analyzed. In a solvable model with a repulsive potential, the Gaussian approximation and the RPA, both built from the Hartree mean field, are found more reliable than the RPA built from a Hartree-Fock mean field.