arXiv subjects
Publications and source records attributed to J. P. Vary.
We demonstrate the validity of the complex scaling method for realistic strong, non-local, nucleon- nucleon interactions by comparing the deuteron bound state and nucleon-nucleon scattering phase shifts with results from other high-precision methods. This opens a pathway for the simultaneous ab initio solutions of the nuclear bound and scattering problems within a unified framework.
We present an ab initio symmetry-adapted no-core shell-model description for $^{6}$Li. We study the structure of the ground state of $^{6}$Li and the impact of the symmetry-guided space selection on the charge density components for this state in momentum space, including the effect of higher shells. We accomplish this by investigating the electron scattering charge form factor for momentum transfers up to $q \sim 4$ fm$^{-1}$. We demonstrate that this symmetry-adapted framework can achieve significantly reduced dimensions for equivalent large shell-model spaces while retaining the accuracy of the form factor for any momentum transfer. These new results confirm the previous outcomes for selected spectroscopy observables in light nuclei, such as binding energies, excitation energies, electromagnetic moments, E2 and M1 reduced transition probabilities, as well as point-nucleon matter rms radii.
Rotational bands have been observed to emerge in ab initio no-core configuration interaction (NCCI) calculations for p-shell nuclei, as evidenced by rotational patterns for excitation energies, electromagnetic moments, and electromagnetic transitions. We investigate the ab initio emergence of nuclear rotation in the Be isotopes, focusing on 9Be for illustration, and make use of basis extrapolation methods to obtain ab initio predictions of rotational band parameters for comparison with experiment. We find robust signatures for rotational motion, which reproduce both qualitative and quantitative features of the experimentally observed bands.
The emergence of rotational bands is observed in no-core configuration interaction (NCCI) calculations for the Be isotopes (7<=A<=12), as evidenced by rotational patterns for excitation energies, electromagnetic moments, and electromagnetic transitions. Yrast and low-lying excited bands are found. The results indicate well-developed rotational structure in NCCI calculations, using the JISP16 realistic nucleon-nucleon interaction within finite, computationally-accessible configuration spaces.
We report ab initio calculations for neutron drops in a 10 MeV external harmonic-oscillator trap using chiral nucleon-nucleon plus three-nucleon interactions. We present total binding energies, internal energies, radii and odd-even energy differences for neutron numbers N = 2 - 18 using the no-core shell model with and without importance truncation. Furthermore, we present total binding energies for N = 8, 16, 20, 28, 40, 50 obtained in a coupled-cluster approach. Comparisons with Green's Function Monte Carlo results, where available, using Argonne v8' with three-nucleon interactions reveal important dependences on the chosen Hamiltonian.
The rapid Gaussian falloff of the oscillator functions at large radius makes them poorly suited for the description of the asymptotic properties of the nuclear wave function, a problem which becomes particularly acute for halo nuclei. We consider an alternative basis for ab initio no-core configuration interaction (NCCI) calculations, built from Coulomb-Sturmian radial functions, allowing for realistic exponential falloff. NCCI calculations are carried out for the neutron halo nuclei 6,8He, as well as the baseline case 4He, with the JISP16 nucleon-nucleon interaction. Estimates are made for the root-mean-square radii of the proton and matter distributions.
The rapid falloff of the oscillator functions at large radius (Gaussian asymptotics) makes them poorly suited for the description of the asymptotic properties of the nuclear wave function, a problem which becomes particularly acute for halo nuclei. We consider an alternative basis for ab initio no-core configuration interaction (NCCI) calculations, built from Coulomb-Sturmian radial functions, allowing for realistic (exponential) radial falloff. NCCI calculations are carried out for the neutron-rich He isotopes, and estimates are made for the RMS radii of the proton and neutron distributions.
Saturation properties of the JISP16 NN interaction are studied in symmetric nuclear matter calculations, with special attention paid to the convergence properties with respect to the number of partial waves. We also present results of pure neutron matter calculations with the JISP16 interaction.
We investigate selected static and transition properties of $^{12}$C using ab initio No-Core Shell Model (NCSM) methods with chiral two- and three-nucleon interactions. We adopt the Similarity Renormalization Group (SRG) to assist convergence including up to three-nucleon (3N) contributions. We examine the dependences of the $^{12}$C observables on the SRG evolution scale and on the model-space parameters. We obtain nearly converged low-lying excitation spectra. We compare results of the full NCSM with the Importance Truncated NCSM in large model spaces for benchmarking purposes. We highlight the effects of the chiral 3N interaction on several spectroscopic observables. The agreement of some observables with experiment is improved significantly by the inclusion of 3N interactions, e.g., the B(M1) from the first $J^πT = 1^+ 1$ state to the ground state. However, in some cases the agreement deteriorates, e.g., for the excitation energy of the first $1^+ 0$ state, leaving room for improved next-generation chiral Hamiltonians.
Basis Light-front Quantization (BLFQ) has recently been developed as a promising nonperturbative technique. Using BLFQ, we investigate the Generalized Parton Distributions (GPDs) in a nonperturbative framework for a dressed electron in QED. We evaluate light-front wave functions and carry out overlap calculations to obtain GPDs. We also perform perturbative calculations in the corresponding basis spaces to demonstrate that they compare reasonably with the BLFQ results.
Results for ab initio no-core shell model calculations in a symmetry-adapted SU(3)-based coupling scheme demonstrate that collective modes in light nuclei emerge from first principles. The low-lying states of 6Li, 8Be, and 6He are shown to exhibit orderly patterns that favor spatial configurations with strong quadrupole deformation and complementary low intrinsic spin values, a picture that is consistent with the nuclear symplectic model. The results also suggest a pragmatic path forward to accommodate deformation-driven collective features in ab initio analyses when they dominate the nuclear landscape.
An outstanding goal of physics is to find solutions that describe hadrons in the theory of strong interactions, Quantum Chromodynamics (QCD). For this goal, the light-front Hamiltonian formulation of QCD (LFQCD) is a complementary approach to the well-established lattice gauge method. LFQCD offers access to the hadrons' nonperturbative quark and gluon amplitudes, which are directly testable in experiments at existing and future facilities. We present an overview of the promises and challenges of LFQCD in the context of unsolved issues in QCD that require broadened and accelerated investigation. We identify specific goals of this approach and address its quantifiable uncertainties.
The Similarity Renormalization Group (SRG) is used to soften interactions for ab initio nuclear structure calculations by decoupling low- and high-energy Hamiltonian matrix elements. The substantial contribution of both initial and SRG-induced three-nucleon forces requires their consistent evolution in a three-particle basis space before applying them to larger nuclei. While in principle the evolved Hamiltonians are unitarily equivalent, in practice the need for basis truncation introduces deviations, which must be monitored. Here we present benchmark no-core full configuration calculations with SRG-evolved interactions in p-shell nuclei over a wide range of softening. These calculations are used to assess convergence properties, extrapolation techniques, and the dependence of energies, including four-body contributions, on the SRG resolution scale.
The emergence of rotational bands is observed in no-core configuration interaction (NCCI) calculations for the odd-mass Be isotopes (7<=A<=13) with the JISP16 nucleon-nucleon interaction, as evidenced by rotational patterns for excitation energies, quadrupole moments, and E2 transitions. Yrast and low-lying excited bands are found. The results demonstrate the possibility of well-developed rotational structure in NCCI calculations using a realistic nucleon-nucleon interaction.
Calculations in ab initio no-core configuration interaction (NCCI) approaches, such as the no-core shell model or no-core full configuration methods, have conventionally been carried out using the harmonic-oscillator many-body basis. However, the rapid falloff (Gaussian asymptotics) of the oscillator functions at large radius makes them poorly suited for the description of the asymptotic properties of the nuclear wave function. We establish the foundations for carrying out NCCI calculations with an alternative many-body basis built from Coulomb-Sturmian functions. These provide a complete, discrete set of functions with a realistic exponential falloff. We present illustrative NCCI calculations for 6Li with a Coulomb-Sturmian basis and investigate the center-of-mass separation and spurious excitations.
We report no-core solutions for properties of light nuclei with three different approaches in order to assess the accuracy and convergence rates of each method. Full configuration interaction (FCI), Monte Carlo shell model (MCSM) and no core full configuration (NCFC) approaches are solved separately for the ground state energy and other properties of seven light nuclei using the realistic JISP16 nucleon-nucleon interaction. The results are consistent among the different approaches. The methods differ significantly in how the required computational resources scale with increasing particle number for a given accuracy.
Calculations in the ab initio no-core shell model (NCSM) have conventionally been carried out using the harmonic-oscillator many-body basis. However, the rapid falloff (Gaussian asymptotics) of the oscillator functions at large radius makes them poorly suited for the description of the asymptotic properties of the nuclear wavefunction. We establish the foundations for carrying out no-core configuration interaction (NCCI) calculations using a basis built from general radial functions and discuss some of the considerations which enter into using such a basis. In particular, we consider the Coulomb-Sturmian basis, which provides a complete set of functions with a realistic (exponential) radial falloff.
The demands of cutting-edge science are driving the need for larger and faster computing resources. With the rapidly growing scale of computing systems and the prospect of technologically disruptive architectures to meet these needs, scientists face the challenge of effectively using complex computational resources to advance scientific discovery. Multidisciplinary collaborating networks of researchers with diverse scientific backgrounds are needed to address these complex challenges. The UNEDF SciDAC collaboration of nuclear theorists, applied mathematicians, and computer scientists is developing a comprehensive description of nuclei and their reactions that delivers maximum predictive power with quantified uncertainties. This paper describes UNEDF and identifies attributes that classify it as a successful computational collaboration. We illustrate significant milestones accomplished by UNEDF through integrative solutions using the most reliable theoretical approaches, most advanced algorithms, and leadership-class computational resources.