Gaute Hagen

Coupled-cluster computations of atomic nuclei

In the past decade, coupled-cluster theory has seen a renaissance in nuclear physics, with computations of neutron-rich and medium-mass nuclei. The method is efficient for nuclei with product-state references, and it describes many aspects of weakly bound and unbound nuclei. This report reviews the technical and conceptual developments of this method in nuclear physics, and the results of coupled-cluster calculations for nucleonic matter, and for exotic isotopes of helium, oxygen, calcium, and some of their neighbors.

Evolution of shell structure in neutron-rich calcium isotopes.

We employ interactions from chiral effective field theory and compute the binding energies and low-lying excitations of calcium isotopes with the coupled-cluster method. Effects of three-nucleon forces are included phenomenologically as in-medium two-nucleon interactions, and the coupling to the particle continuum is taken into account using a Berggren basis. The computed ground-state energies and the low-lying J(π) = 2+ states for the isotopes (42,48,50,52)Ca are in good agreement with data, and we predict the excitation energy of the first J(π) = 2+ state in (54)Ca at 1.9 MeV, displaying only a weak subshell closure. In the odd-mass nuclei (53,55,61)Ca we find that the positive parity states deviate strongly from the naive shell model.

Optimized Chiral Nucleon-Nucleon Interaction at Next-to-Next-to-Leading Order

We optimize the nucleon-nucleon interaction from chiral effective field theory at next-to-next-to-leading order (NNLO). The resulting new chiral force NNLO(opt) yields χ(2)≈1 per degree of freedom for laboratory energies below approximately 125 MeV. In the A=3, 4 nucleon systems, the contributions of three-nucleon forces are smaller than for previous parametrizations of chiral interactions. We use NNLO(opt) to study properties of key nuclei and neutron matter, and we demonstrate that many aspects of nuclear structure can be understood in terms of this nucleon-nucleon interaction, without explicitly invoking three-nucleon forces.

Accurate nuclear radii and binding energies from a chiral interaction

With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to Ca-40, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective J(pi) = 3(-) states in O-16 and 40Ca are described accurately, while spectra for selected p- and sd-shell nuclei are in reasonable agreement with experiment.

Continuum Effects and Three-Nucleon Forces in Neutron-Rich Oxygen Isotopes

We employ interactions from chiral effective field theory and compute binding energies, excited states, and radii for isotopes of oxygen with the coupled-cluster method. Our calculation includes the effects of three-nucleon forces and of the particle continuum, both of which are important for the description of neutron-rich isotopes in the vicinity of the nucleus 24O. Our main results are the placement of the neutron drip line at 24O, the assignment of spins, parities and resonance widths for several low-lying states of the drip line nucleus, and an efficient approximation that incorporates the effects of three-body interactions.

Medium-mass nuclei from chiral nucleon-nucleon interactions.

We compute the binding energies, radii, and densities for selected medium-mass nuclei within coupled-cluster theory and employ a bare chiral nucleon-nucleon interaction at next-to-next-to-next-to-leading order. We find rather well-converged results in model spaces consisting of 15 oscillator shells, and the doubly magic nuclei 40Ca, 48Ca, and the exotic 48Ni are underbound by about 1 MeV per nucleon within the coupled-cluster singles-doubles approximation. The binding-energy difference between the mirror nuclei 48Ca and 48Ni is close to theoretical mass table evaluations. Our computation of the one-body density matrices and the corresponding natural orbitals and occupation numbers provides a first step to a microscopic foundation of the nuclear shell model.

Coupled-cluster theory for three-body Hamiltonians

We derive coupled-cluster equations for three-body Hamiltonians. The equations for the one- and two-body cluster amplitudes are presented in a factorized form that leads to an efficient numerical implementation. We employ low-momentum two- and three-nucleon interactions and calculate the binding energy of {sup 4}He. The results show that the main contribution of the three-nucleon interaction stems from its density-dependent zero-, one-, and two-body terms that result from the normal ordering of the Hamiltonian in coupled-cluster theory. The residual three-body terms that remain after normal ordering can be neglected.

Ab Initio Coupled-Cluster Effective Interactions for the Shell Model: Application to Neutron-Rich Oxygen and Carbon Isotopes

We derive and compute effective valence-space shell-model interactions from ab initio coupled-cluster theory and apply them to open-shell and neutron-rich oxygen and carbon isotopes. Our shell-model interactions are based on nucleon-nucleon and three-nucleon forces from chiral effective-field theory. We compute the energies of ground and low-lying states, and find good agreement with experiment. In particular, our computed 2(+) states are consistent with N = 14,16 shell closures in (22,24)O, and a weaker N=14 shell closure in (20)C. We find good agreement between our coupled-cluster effective-interaction results with those obtained from standard single-reference coupled-cluster calculations for up to eight valence neutrons.

Benchmark calculations for 3H, 4He, 16O, and 40Ca with ab initio coupled-cluster theory

We present ab initio calculations for 3H, 4 He, 16 O, and 40 Ca based on two-nucleon low-momentum interactions V lowk within coupled-cluster theory. For 3 H and 4 He, our results are within 70 and 10 keV of the corresponding Faddeev and Faddeev-Yakubovsky energies. We study in detail the convergence with respect to the size of the model space and the single-particle basis. For the heavier nuclei, we report practically converged binding energies and compare with other approaches.

Broyden's Method in Nuclear Structure Calculations

Broydens method, widely used in quantum chemistry electronic-structure calculations for the numerical solution of nonlinear equations in many variables, is applied in the context of the nuclear many-body problem. Examples include the unitary gas problem, the nuclear density functional theory with Skyrme functionals, and the nuclear coupled-cluster theory. The stability of the method, its ease of use, and its rapid convergence rates make Broydens method a tool of choice for large-scale nuclear structure calculations.