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Register a new userThick-Restart Block Lanczos Method for Large-Scale Shell-Model Calculations
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We propose a thick-restart block Lanczos method, which is an extension of the thick-restart Lanczos method with the block algorithm, as an eigensolver of the large-scale shell-model calculations. This method has two advantages over the conventional Lanczos method: the precise computations of the near-degenerate eigenvalues, and the efficient computations for obtaining a large number of eigenvalues. These features are quite advantageous to compute highly excited states where the eigenvalue density is rather high. A shell-model code, named KSHELL, equipped with this method was developed for massively parallel computations, and it enables us to reveal nuclear statistical properties which are intensively investigated by recent experimental facilities. We describe the algorithm and performance of the KSHELL code and demonstrate that the present method outperforms the conventional Lanczos method.
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We present a procedure that is helpful to reduce the computational complexity of large-scale shell-model calculations, by preserving as much as possible the role of the rejected degrees of freedom in an effective approach. Our truncation is driven first by the analysis of the effective single-particle energies of the original large-scale shell-model hamiltonian, so to locate the relevant degrees of freedom to describe a class of isotopes or isotones, namely the single-particle orbitals that will constitute a new truncated model space. The second step is to perform an unitary transformation of the original hamiltonian from its model space into the truncated one. This transformation generates a new shell-model hamiltonian, defined in a smaller model space, that retains effectively the role of the excluded single-particle orbitals. As an application of this procedure, we have chosen a realistic shell-model hamiltonian defined in a large model space, set up by seven and five proton and neutron single-particle orbitals outside 88Sr, respectively. We study the dependence of shell-model results upon different truncations of the original model space for the Zr, Mo, Ru, Pd, Cd, and Sn isotopic chains, showing the reliability of this truncation procedure.
A thick-restart Lanczos type algorithm is proposed for Hermitian $J$-symmetric matrices. Since Hermitian $J$-symmetric matrices possess doubly degenerate spectra or doubly multiple eigenvalues with a simple relation between the degenerate eigenvectors, we can improve the convergence of the Lanczos algorithm by restricting the search space of the Krylov subspace to that spanned by one of each pair of the degenerate eigenvector pairs. We show that the Lanczos iteration is compatible with the $J$-symmetry, so that the subspace can be split into two subspaces that are orthogonal to each other. The proposed algorithm searches for eigenvectors in one of the two subspaces without the multiplicity. The other eigenvectors paired to them can be easily reconstructed with the simple relation from the $J$-symmetry. We test our algorithm on randomly generated small dense matrices and a sparse large matrix originating from a quantum field theory.
We propose an importance-truncation scheme for the large-scale nuclear shell model that extends its range of applicability to larger valence spaces and mid-shell nuclei. It is based on a perturbative measure for the importance of individual basis states that acts as an additional truncation for the many-body model space in which the eigenvalue problem of the Hamiltonian is solved numerically. Through a posteriori extrapolations of all observables to vanishing importance threshold, the full shell-model results can be recovered. In addition to simple threshold extrapolations, we explore extrapolations based on the energy variance. We apply the importance-truncated shell model for the study of 56-Ni in the pf valence space and of 60-Zn and 64-Ge in the pfg9/2 space. We demonstrate the efficiency and accuracy of the approach, which pave the way for future shell-model calculations in larger valence spaces with valence-space interactions derived in ab initio approaches.
We present the state-of-the art shell model calculations in a large model space (pf for protons, fpgd for neutrons), which allow to study simultaneously excitations across the Z=28 and N=50 shell gaps. We explore the region in the vicinity of 78Ni, being a subject of intense experimental investigations. Our calculations account correctly for the known low lying excited states in this region, including those which may correspond to cross-shell excitations. We observe the minimum of the N=50 mass gap at Z=32 consistent with experimental data and its further increase towards Z=28, indicating a robustness of the N=50 gap in 78Ni. The evolution of N=50 gap along the nickel chain is shown to bear similarities with what is know in oxygen and calcium chains, providing a new opportunity for the studies of 3-body monopole effects in medium mass nuclei.
We present an approach to derive effective shell-model interactions from microscopic nuclear forces. The similarity-transformed coupled-cluster Hamiltonian decouples the single-reference state of a closed-shell nucleus and provides us with a core for the shell model. We use a second similarity transformation to decouple a shell-model space from the excluded space. We show that the three-body terms induced by both similarity transformations are crucial for an accurate computation of ground and excited states. As a proof of principle we use a nucleon-nucleon interaction from chiral effective field theory, employ a $^4$He core, and compute low-lying states of $^{6-8}$He and $^{6-8}$Li in $p$-shell model spaces. Our results agree with benchmarks from full configuration interaction.
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