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arXiv:1708.07219 · Progress of Theoretical and Experimental Physics

Role of small-norm components in extended random-phase approximation

M. Tohyama

Published Aug 22, 2017• 2 citations
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Abstract

The role of the small-norm amplitudes in extended random-phase approximation (RPA) theories such as the particle-particle and hole-hole components of one-body amplitudes and the twobody amplitudes other than two-particle/two-hole components are investigated for the onedimensional Hubbard model using an extended RPA derived from the time-dependent density matrix theory.It is found that these amplitudes cannot be neglected in strongly interacting regions where the effects of ground-state correlations are significant.............

DOI
10.1093/ptep/ptx128

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The role of the small-norm amplitudes in extended random-phase approximation (RPA) theories such as the particle-particle and hole-hole components of one-body amplitudes and the twobody amplitudes other than two-particle/two-hole components are investigated for the onedimensional Hubbard model using an extended RPA derived from the time-dependent density matrix theory.It is found that these amplitudes cannot be neglected in strongly interacting regions where the effects of ground-state correlations are significant.............
In this second work in a series of papers the coupled-cluster or exp(S)\mathrm{exp}(S)exp(S) formalism is applied to the problem of ground-state correlations in the one-component Fermi plasma. The main approximation employed is the so-called SUB2 approximation for the two-body subsystem correlation operator S2{S}_{2}S2​ which provides a measure of the two-particle---two-hole component in the true ground-state wave function, and in which the coupling to larger subsystems is neglected. The SUB2 equations for Fermi systems are brought into tractable form by a "state-averaging" procedure which we develop by analogy with the comparable Bose equations, and which is shown by comparison with earlier exact results to be accurate in the metallic density regime at about the 1% level. Our final results for metallic densities include the completely integrated and self-consistent effects of the terms which by themselves generate (i) the random-phase approximation (RPA) and its associated exact long-range screening effects, (ii) the extra random-phase approximation exchange terms necessary to keep the RPA explicitly antisymmetric, (iii) the self-consistent particle-particle ladders (LAD) that describe two-particle scattering within the many-body medium and which describe the exact short-range behavior, (iv) a class of particle-hole ladder terms, and (v) the self-consistent hole-potential terms. Particular attention is paid to the important effects caused by the interference at intermediate separations of the long-range RPA and the short-range LAD effects. By comparison with recent and essentially exact stochastic simulations of the many-body Schr\"odinger equation, our results are seen to be accurate to about 1% for metallic densities, and hence to provide what is probably the currently best microscopic description available for this system. We show also that even in the low-density limit the SUB2 approximation provides a good "translationally-invariant-solid" description of both charged Fermi and Bose systems in this exact Wigner crystal regime.
An approach for particle-hole correlation functions, based on the so-called self-consistent random-phase approximation is developed. This leads to a fully self-consistent RPA-like theory that satisfies the fff-sum rule and several other theorems. As a first step, a simpler self-consistent approach, the renormalized RPA, is solved numerically in the one-dimensional Hubbard model. The charge and the longitudinal spin susceptibility, the momentum distribution, and several ground-state properties are calculated and compared with the exact results. Especially at half-filling, our approach provides quite promising results and matches the exact behavior apart from a general prefactor. The strong-coupling limit of our approach can be described analytically.
The time-dependent density-matrix theory (TDDM) gives a correlated ground state as a stationary solution of the time-dependent equations for one-body and two-body density matrices. The small amplitude limit of TDDM (STDDM) is a version of extended RPA theories which include the effects of ground state correlations. It is shown that the solutions of the Hartree-Fock Bogoliubov theory and the quasi-particle RPA satisfy the TDDM and STDDM equations, respectively, when only pairing-type correlations are taken into account in TDDM and STDDM.
The Bogoliubov-Born-Green-Kirkwood-Yvon or time-dependent density matrix (TDDM) hierarchy of equations for higher density matrices is truncated at the three-body level in approximating the three-body correlation function by a quadratic form of two-body ones, closing the equations in this way. The procedure is discussed in detail and it is shown in nontrivial model cases that the approximate inclusion of three-body correlation functions is very important to obtain precise results. A small amplitude approximation of this time-dependent nonlinear equation for the two-body correlation function is performed (STDDM*-b) and it is shown that the one-body sector of this generalized nonlinear second random phase approximation (RPA) equation is equivalent to the self-consistent RPA (SCRPA) approach which had been derived previously by different techniques. It is discussed in which way SCRPA also contains the three-body correlations. TDDM and SCRPA are tested versus exactly solvable model cases.
The second random-phase approximation (SRPA) is the simplest and most natural extension of the RPA. It enlarges the space of the elementary modes introduced to describe the collective states by adding 2 particle -2 hole excitations to the 1 particle -1 hole ones of the RPA. In deriving the SRPA equations, use is made, as in the RPA, of the so-called quasi-boson approximation (QBA) where expectation values in the ground state of the system are approximated by their values in the uncorrelated reference state. This, however, has been shown to imply a degree of approximation worse than that in the RPA. It is, therefore, necessary to improve the QBA by considering a reference state which contains some correlations. Having in mind to perform such calculations for realistic systems, we consider a simple extension of the SRPA in which the reference state contains 2 particle - 2 hole correlations. The quality of such an extension is tested by applying it to a solvable three-level model and found to be good.
The random-phase approximation (RPA) is examined in a boson formalism and special attention is focused on the problem of the violation of the Pauli principle affecting this theory. A mapping technique is discussed and the boson image of a two-body fermion Hamiltonian is constructed. Within the boson space so defined, an extension of RPA is proposed where structure and energy of the ground state, as well as those of the one-phonon states, are analyzed with regard to the role of the spurious components associated with a violation of the Pauli principle. A multistep minimization procedure for the determination of a better ground state is also examined. Numerical tests are performed within the Lipkin-Meshkov-Glick model.