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arXiv:1301.7140 · Physical Review C

Ab initio no-core Gamow shell model calculations with realistic interactions

George Papadimitriou, J. Rotureau, N. Michel, Marek Płoszajczak, BRUCE R. BARRETT

Published Oct 15, 2013• 107 citations
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Abstract

No-core Gamow shell model (NCGSM) is applied to study selected well-bound and unbound states of helium isotopes. This model is formulated on the complex energy plane and, by using a complete Berggren ensemble, treats bound, resonant, and scattering states on equal footing. We use the density matrix renormalization group method to solve the many-body Schr\"odinger equation. To test the validity of our approach, we benchmarked the NCGSM results against Faddeev and Faddeev-Yakubovsky exact calculations for ${}^{3}$H and ${}^{4}$He nuclei. We also performed ab initio NCGSM calculations for the unstable nucleus ${}^{5}$He and determined the ground-state energy and decay width, starting from a realistic N${}^{3}$LO chiral interaction.

DOI
10.1103/physrevc.88.044318

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No-core Gamow shell model (NCGSM) is applied to study selected well-bound and unbound states of helium isotopes. This model is formulated on the complex energy plane and, by using a complete Berggren ensemble, treats bound, resonant, and scattering states on equal footing. We use the density matrix renormalization group method to solve the many-body Schr"odinger equation. To test the validity of our approach, we benchmarked the NCGSM results against Faddeev and Faddeev-Yakubovsky exact calculations for 3{}^{3}3H and 4{}^{4}4He nuclei. We also performed ab initio NCGSM calculations for the unstable nucleus 5{}^{5}5He and determined the ground-state energy and decay width, starting from a realistic N3{}^{3}3LO chiral interaction.
We merge two successful ab initio nuclear-structure methods, the no-core shell model (NCSM) and the multireference in-medium similarity renormalization group (IM-SRG) to define a new many-body approach for the comprehensive description of ground and excited states of closed and open-shell nuclei. Building on the key advantages of the two methods-the decoupling of excitations at the many-body level in the IM-SRG and the access to arbitrary nuclei, eigenstates, and observables in the NCSM-their combination enables fully converged no-core calculations for an unprecedented range of nuclei and observables at moderate computational cost. We present applications in the carbon and oxygen isotopic chains, where conventional NCSM calculations are still feasible and provide an important benchmark. The efficiency and rapid convergence of the new approach make it ideally suited for ab initio studies of the complete spectroscopy of nuclei up into the medium-mass regime.
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The exact solution of quantum mechanical many-body problems is only possible for few particles. Therefore, numerical methods were developed in the fields of quantum physics and quantum chemistry for larger particle numbers. Configuration Interaction (CI) methods or the No-Core Shell Model (NCSM) allow ab initio calculations for light and intermediate-mass nuclei, without resorting to phenomenology. An extension of the NCSM is the Importance-Truncated No-Core Shell Model, which uses an a priori selection of the most important basis states. The importance truncation was first developed and applied in quantum chemistry in the 1970s and latter successfully applied to models of light and intermediate mass nuclei. Other numerical methods for calculations for ultra-cold fermionic many-body systems are the Fixed-Node Diffusion Monte Carlo method (FN-DMC) and the stochastic variational approach with Correlated Gaussian basis functions (CG). There are also such method as the Coupled-Cluster method, Green’s Function Monte Carlo (GFMC) method, et cetera, used for calculation of many-body systems. In this thesis, we adopt the IT-NCSM for the calculation of ultra-cold Fermi gases at unitarity. Ultracold gases are dilute, strongly correlated systems, in which the average interparticle distance is much larger than the range of the interaction. Therefore, the detailed radial dependence of the potential is not resolved, and the potential can be replaced by an effective contact interaction. At low energy, s-wave scattering dominates and the interaction can be described by the s-wave scattering length. If the scattering length is small and negative, Cooper-pairs are formed in the Bardeen-Cooper-Schrieffer (BCS) regime. If the scattering length is small and positive, these Cooper-pairs become strongly bound molecules in a Bose-Einstein-Condensate (BEC). In between (for large scattering lengths) is the unitary limit with universal properties. Calculations of the energy spectra (ground-state and first excited-state) have so far only been performed for up to five particles using CI or NCSM methods or for up to six particles using the CG method. Calculations with larger particle numbers have only been performed with Monte Carlo methods and only for the ground state of up to 30 particles. We extend ab initio calculations of the energy spectra of ultra-cold Fermi gases at unitarity for up to 20 particle using the IT-NCSM. For our calculations we use different interactions: an effective interaction introduced by Alhassid, Bertsch and Fang and an interaction constructed using an effective field theory (EFT) approach. Furthermore, we use a Gauss-shaped potential as it is also used for the calculations of ultra-cold Fermi gases at unitarity using CG or FN-DMC methods. Although more effort must be invested to make the Gauss-shaped potential suitable for IT-NCSM calculations of ultra-cold Fermi gases, calculations with the other two interactions yield ground-state energies which agree excellently with the results obtained using the FN-DMC method. The IT-NCSM extends the range of the NCSM and permits the calculation of energy spectra (ground-state and excited-state energies) of fermionic systems with large particle numbers for which previously only the ground states could be calculated using Monte Carlo methods.
We describe the use of the density matrix renormalization group method as a means of approximately solving large-scale nuclear shell-model problems. We focus on an angular-momentum-conserving variant of the method and report test results for the nucleus 48Cr^{48}\mathrm{Cr}48Cr. The calculation is able to reproduce both the ground-state energy and the energy of the first excited state, by diagonalizing matrices much smaller than those of the full shell model.
The shell model provides a powerful framework for nuclear structure calculations. The nucleons beyond an inert magic core are confined in a valence shell and interact through an effective two-body potential generally determined from the G-matrix method. However, the applicability of the shell model remains limited by the exponential growth of the many-body space with the number of valence nucleons and with the size of the one-body space. The quantum Monte Carlo (QMC) methods may thus be considered as a potentially attractive alternative to the direct diagonalization of the Hamiltonian matrix. The many-body problem is indeed reduced to a set of stochastic one-body problems describing independent particles in a fluctuating external field. Up to date, the QMC approaches of the shell model lead to the ground-state and the thermodynamic properties, but a detailed spectroscopy of nuclei is not reachable. Furthermore, they suffer from a common pathology of fermionic QMC methods, namely the sign/phase problem, which strongly contaminates the convergence of the calculation. In this context, we will present a new QMC method, providing the "yrast spectroscopy" of nuclei, and in which the sign/phase problem is managed through the constrained path approximation that is widely used in the ab initio nuclear calculations and in condensed matter physics.
The particle-hole density matrix renormalization group $(p\ensuremath{-}h$ DMRG) method is discussed as a possible new approach to large-scale nuclear shell-model calculations. Following a general description of the method, we apply it to a class of problems involving many identical nucleons constrained to move in a single large j-shell and to interact via a pairing plus quadrupole interaction. A single-particle term that splits the shell into degenerate doublets is included so as to accommodate the physics of a Fermi surface in the problem. We apply the $p\ensuremath{-}h$ DMRG method to this test problem for two j values, one for which the shell model can be solved exactly and one for which the size of the Hamiltonian is much too large for exact treatment. In the former case, the method is able to reproduce the exact results for the ground state energy, the energies of low-lying excited states, and other observables with extreme precision. In the latter case, the results exhibit rapid exponential convergence, suggesting the great promise of this new methodology even for more realistic nuclear systems. We also compare the results of the test calculations with those from Hartree-Fock-Bogoliubov approximation and address several other questions about the $p\ensuremath{-}h$ DMRG method of relevance to its usefulness when treating more realistic nuclear systems.