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arXiv:1809.07869

Current Status of Very-Large-Basis Hamiltonian Diagonalizations for Nuclear Physics

Calvin W. Johnson

Published Sep 20, 2018• 2 citations
arXivHTMLPDF

Abstract

Today there are a plethora of many-body techniques for calculating nuclear wave functions and matrix elements. I review the status of that reliable workhorse, the interacting shell model, a.k.a. configuration-interaction methods, a.k.a. Hamiltonian diagonalization, and survey its advantages and disadvantages. With modern supercomputers one can tackle dimensions up to about 20 billion! I discuss how we got there and where we might go in the near future.

DOI
10.48550/arxiv.1809.07869

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Today there are a plethora of many-body techniques for calculating nuclear wave functions and matrix elements. I review the status of that reliable workhorse, the interacting shell model, a.k.a. configuration-interaction methods, a.k.a. Hamiltonian diagonalization, and survey its advantages and disadvantages. With modern supercomputers one can tackle dimensions up to about 20 billion! I discuss how we got there and where we might go in the near future.
The formulation and recent applications of the Quantum Monte Carlo diagonalization (QMCD) method are reported. The QMCD has been proposed for solving the quantum many-body inteacting systems, providing us with energy eigenvalues, transition matrix elements and wave functions. Its application to the nuclear shell model is referred to as the Monte Carlo Shell Model. By the Monte Carlo Shell Model calculations, the level structure of low-lying states can be studied with realistic interactions, providing a useful tool for nuclear spectroscopy. The Monte Carlo Shell Model has been applied to the study of a variety of nuclei, and can be characterized as the importance truncation scheme to the full diagonalization which is infeasible in many cases due to extremely large dimensions.
A brief review of the history of many-body perturbation theory (MBPT) and its applications in nuclear physics is given. Problems regarding its application to nuclear-structure calculations are discussed and analysed. It is concluded that the usefulness of nuclear MBPT in terms of an expansion in the nuclear reaction matrix G for the calculation of effective interactions in shell-model investigations is severely challenged and restricted by the problems and uncertainties connected with this approach. New methods based on unitary transformation approaches have proven to be more accurate and reliable, particularly for light nuclei.
The present-day shell-model computer programmes of nuclear physics can handle very large model spaces, and often in practice the upper bounds on dimensionalities are set by the capacity of the computer. However, still larger configuration spaces can be treated successfully by the methods of statistical spectroscopy to obtain average properties of many-particle systems. These methods are based on the use of distribution functions with parameters that can be evaluated without the explicit calculation and diagonalization of a high-dimensional hamiltonian matrix. The basic philosophy behind this method is that the average properties depend on the particular model at hand, whereas the fluctuations about the average are universal. The latter remark means that the fluctuations can be described by the gaussian orthogonal ensemble. Of course, the results are less detailed than those one would obtain, if possible, from the explicit diagonalization of the energy matrix and the use of the resulting many-dimensional
Open quantum systems (OQS), extended in space (halo nuclei) or even unbound, differ from closed quantum systems (CQS), for which the methods of standard shell model (SM) [1] can be utilized in order to expand their wave function in a configuration interaction framework. Configuration interaction methods based on the use of Berggren bases [2], comprising bound, resonant and scattering states, which have the ability to generate the very long range asymptotic behavior of OQSs, are used instead for that matter. This demands the introduction of new computational techniques, including the optimization and discretization of the Berggren basis [3], the development of an algorithm to efficiently calculate their two-body matrix elements [4], and an overall optimization of memory storage absent from SM, where, for instance, all data related to proton and neutron spaces only can be precalculated and stored [1]. In order to diagonalize the very large induced matrices, the Density Matrix Renormalization Group (DMRG) method [5] extended to OQSs has been developed [6, 7]. A renormalization procedure which generates more and more correlated many-body basis states iteratively is used therein, so that the Hamiltonian matrix to diagonalize is very small compared to that occurring with a many-body basis of independent particles [6, 7]. Parallelization of presented methods will also be discussed.