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Progress of Theoretical Physics

Extension of the Single-Particle Description in Nuclear System. I

Kenji S. Suzuki

Published Mar 1, 1973• 0 citations
Publisher

Abstract

A general theory is proposed for the study of the single-particle description of a nondegenerate finite-particle system in a truncated shell-model space. In this theory, it is established that one can introduce a single-paritcle representation satisfying the requirements that single-particle operators to be defined should obey the Fermion-commutation relation, and that the corresponding free vacuum should also be the lowest eigenstate of the Hamiltonian. It is proved that such a representation based on the true ground state can be derived by the unitary transformation of the usual Fermion operators similarly to the quasi-particle transformation method. The equation is given for the determination of the unitary operator proper to new representation. This approach is proved to be understood as a natural extension of the usual Hartree-Fock theory. The theory is applied to a normal system, and a successive linearization procedure is proposed in order to solve the equation for the unitary operator. The advantages of the theory are discussed in connection with the nuclear shell-model problems.

DOI
10.1143/ptp.49.852

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A general theory is proposed for the study of the single-particle description of a nondegenerate finite-particle system in a truncated shell-model space. In this theory, it is established that one can introduce a single-paritcle representation satisfying the requirements that single-particle operators to be defined should obey the Fermion-commutation relation, and that the corresponding free vacuum should also be the lowest eigenstate of the Hamiltonian. It is proved that such a representation based on the true ground state can be derived by the unitary transformation of the usual Fermion operators similarly to the quasi-particle transformation method. The equation is given for the determination of the unitary operator proper to new representation. This approach is proved to be understood as a natural extension of the usual Hartree-Fock theory. The theory is applied to a normal system, and a successive linearization procedure is proposed in order to solve the equation for the unitary operator. The advantages of the theory are discussed in connection with the nuclear shell-model problems.
A new theory of treating the ground-state correlations and the correspond-ing renormalization effects is proposed. In the theory, two-particle-two-hole and four-particle-four-hole excitations are taken up as the important parts in the ground-state correlations. The correlated true ground state is given through multiplication of the unitary operator to the Hartree-Fock ground state. The unitary operator is determined from the condition of minimizing the energy of the correlated true ground state. New single-particle operators are defined through the unitary transformation of the Hartree-Fock single-particle operators in the second-quantization formalism. The transformed Hamiltonian represented by the new single-particle operators is established to display the renormalization effects in the single-particle energies and the two-body matrix elements, and further it is proved that in the Hamiltonian the two-body interactions inducing the ground-state correlati6ns are reduced to small and negligible values. With this Hamiltonian, we are led to a simple
A theory is formulated for solving a many-Fermion system in the framework of unitary-transformation method. A unitary transformation of a product form Πnexp S(n) with n-body operator S(n) is introduced. The operator exp S(n) is determined on the principle that the transformed Hamiltonian should not have interactions which induce n-particle-n-hole excitation. It is proved that the operator S(n) can be given in terms of eigenstates of n-body subsystem Hamiltonian and the true gound state can be given by Πn exp S(n)|φ0>, where |φ0> is the unperturbed free ground state.
The solution of the quantum many-body problem for medium-mass nuclei using realistic nuclear interactions poses a superbe challenge for nuclear structure research. Because an exact solution can only be provided for the lightest nuclei, one has to rely on approximate solutions when proceeding to heavier systems. Over the past years, tremendous progress has been made in the development and application of systematically improvable expansion methods and an accurate description of nuclear observables has become viable up to mass number A≈100A \approx 100A≈100. While closed-shell systems are consistently described via a plethora of different many-body methods, the extension to genuine open-shell systems still remains a major challenge and up to now there is no \textit{ab initio} many-body method which applies equally well to systems with even and odd mass numbers. The goal of this thesis is the development and implementation of innovative perturbative approaches with genuine open-shell capabilities. This requires the extension of well-known single-reference approaches to more general vacua. In this work we choose two complementary routes for the usage of generalized reference states. First, we derive a new \emph{ab initio} approach based on multi-configurational reference states that are conveniently derived from a prior no-core shell model calculation. Perturbative corrections are derived via second-order many-body perturbation theory, thus, merging configuration interaction and many-body perturbation theory. The generality of this ansatz enables for a treatment of medium-mass systems with arbitrary mass number, as well as the extension to low-lying excited states such that ground and excited states are treated on an equal footing. In a complementary approach, we use reference states that break a symmetry of the underlying Hamiltonian. In the simplest case this corresponds to the expansion around a particle-number-broken Hartree-Fock-Bogoliubov vacuum which is obtained from a mean-field calculation. Pairing correlations are already absorbed in the reference state. The mild scaling allows for investigations up to tin isotopic chains. All benchmarks were performed using state-of-the-art chiral two- plus three-nucleon interactions thus allowing for a universal description of nuclear observables in the medium-mass regime.
A theory is formulated to derive an effective interaction in nuclei in the framework of the unitarymodel-operator approach.A unitary operator is introduced to describe two-body correlations, and it is determined from the condition that the effective interaction should be decoupled between the lowmomentum model space and the high-momentum space.The unitary-transformed Hamiltonian is represented in a cluster expansion form.The one-and two-body cluster terms are mainly discussed.The theory is applied to the calculation of the energies of the ground-and one-body states with the Reid soft core potential.A large gain of the energy has been obtained for the ground state in comparison with the result of the usual G-matrix theory.As for the one-body energies obtained, agreement with the experimental values is fairly good.Although the discrepancies with the experiments still remain at the 1O~ 15 % level, the present approach shows to have some desirable features compared with the nuclear many-body theories proposed so far. § 1. IntroductionA fundamental problem in nuclear physics is to clarify the properties of nuclei in terms of the interaction among their constituent particles.Although there have been many theories or approaches, we have not yet reached the goal of reproducing successfully the experimental data.The investigation of nuclear properties, in the usual nonrelativistic approach, proceeds in two steps: The first one is to determine the interaction among nucleons, and the second is to solve the many-body SchrOdinger equation.Concerning the nucleon-nucleon force, it seems that the phenomenological potential, such as the Reid potential, would be incomplete and one should wait until quark dynamics, probably quantum chromodynamics (QCD), solves finally the problem o~ nuclear force.It is of no doubt that in order to fit the experiments we need more accurate knowledge on the nuclear force including the threebody force.However, if we want to reach the goal, we need also a good many-body theory.Regardless of the accuracy of the nuclear force, we shall not be able to solve the problem unless we have a way of constructing an accurate solution for a many-body system.We believe that many-body theory should share the responsibility for the discrepancy between theory and experiment.It will be sure that nuclear many-body theory is still to be improved.Among many theories for nuclear many-body problem, the most widely applied method is, needless to say, the linked-diagram perturbation theory.This approach may also be referred to as the folded-diagram theory based on the G-matrix interaction especially due 'to Brandow 1l and Kuo et al. 2l An outstanding problem in this approach is the convergence of the perturbation expansion.Since Schucan and Weidenmliller 3 ) pointed out the divergence of the perturbation expansion due to the presence of intruder states, this difficulty has long been a serious problem.Present status of this problem is
A theoretical study of single-particle transformations, quasiparticle transformations, Slater determinants, and quasiparticle vacuum states is made for a given finite number of single-fermion states. The usual unitary single-particle or quasiparticle transformations are generalized. The new transformations are the most general transformations which transform Slater determinants into Slater determinants or quasiparticle vacuum states into quasiparticle vacuum states, and they contain as particular cases Thouless's nonunitary transformation. It is shown that several Brillouin theorems used in Hartree-Fock and Hartree-Bogolubov variation theories follow from the form of the continuous variations which can be performed in the space of Slater determinants and in the space of quasiparticle vacuum states.
The concept of an effective Hamiltonian in Fock space is introduced. It is based on the division of the entire one-particle space into subspaces of ‘‘active’’ and ‘‘inactive’’ orbitals. The effective Fock space Hamiltonian has—for active model states—the same eigenvalues as the full Hamiltonian. The theory outlined in this context differs from that of paper I mainly in a different definition of the ‘‘diagonal part’’ of an operator, and in the fact that the ‘‘quasidegenerate case’’ applies throughout. The separation theorem, and as a consequence the connected diagram theorem, is shown to hold, in a more limited sense though, even for those normalizations where it did not in the context of universal wave and energy operators. Unlike in the theory of the ‘‘universal’’ operators of paper I the Fock space and n-particle Hilbert space approaches with analogous normalizations are no longer equivalent. In particular, the Primas normalization with a fully Lie-algebraic structure does not lead to a connected diagram expansion if it is formulated in n-particle Hilbert space, only so in a Fock space formulation. In n-particle Hilbert space with the present definition of the diagonal part of an operator the normalizations b (‘‘canonical’’) and c (‘‘Primas’’) happen to agree. As an alternative to the construction of the wave and energy operator W and L by perturbation theory the nonperturbative approach is presented as a generalization of the coupled-cluster method, in detail both in the intermediate and in the unitary normalization. In the unitary variant only a linear system for σ (the logarithm of the wave operator) has to be solved in order to get L correct through fifth order in perturbation theory with important contributions of higher orders included. A generalization of the Hartree–Fock method to Fock space theory is outlined, which guarantees stationarity of all (active) eigenstates with respect to one-particle transformations. A generalized electron pair theory is also defined. An analysis of the necessary computational steps shows that the nonperturbative approaches do not require significantly more computational effort than perturbation theory to the corresponding order. As a numerical example the H2 molecule in a small basis is discussed.