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 calculations are consistent with the N=14, 16 shell closures in oxygen-22 and oxygen-24, while for carbon-20 the corresponding N=14 closure is weaker. 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

Ab initio calculations of reactions with light nuclei

An {\em ab initio} (i.e., from first principles) theoretical framework capable of providing a unified description of the structure and low-energy reaction properties of light nuclei is desirable to further our understanding of the fundamental interactions among nucleons, and provide accurate predictions of crucial reaction rates for nuclear astrophysics, fusion-energy research, and other applications. In this contribution we review {\em ab initio} calculations for nucleon and deuterium scattering on light nuclei starting from chiral two- and three-body Hamiltonians, obtained within the framework of the {\em ab initio} no-core shell model with continuum. This is a unified approach to nuclear bound and scattering states, in which square-integrable energy eigenstates of the $A$-nucleon system are coupled to $(A-a)+a$ target-plus-projectile wave functions in the spirit of the resonating group method to obtain an efficient description of the many-body nuclear dynamics both at short and medium distances and at long ranges.Comment: 9 pages, 5 figures, proceedings of the 21st International Conference on Few-Body Problems in Physic

Structure of A=10-13 nuclei with two- plus three-nucleon interactions from chiral effective field theory

Properties of finite nuclei are evaluated with two-nucleon (NN) and three-nucleon (NNN) interactions derived within chiral effective field theory (EFT). The nuclear Hamiltonian is fixed by properties of the A=2 system, except for two low-energy constants (LECs) that parameterize the short range NNN interaction. We constrain those two LECs by a fit to the A=3 system binding energy and investigate sensitivity of 4He, 6Li, 10,11B and 12,13C properties to the variation of the constrained LECs. We identify a preferred choice that gives globally the best description. We demonstrate that the NNN interaction terms significantly improve the binding energies and spectra of mid-p-shell nuclei not just with the preferred choice of the LECs but even within a wide range of the constrained LECs. At the same time, we find that a very high quality description of these nuclei requires further improvements to the chiral Hamiltonian.Comment: 4 pages, 4 figure

Ab-initio shell model with a core

We construct effective 2- and 3-body Hamiltonians for the p-shell by performing 12\hbar\Omega ab initio no-core shell model (NCSM) calculations for A=6 and 7 nuclei and explicitly projecting the many-body Hamiltonians onto the 0\hbar\Omega space. We then separate these effective Hamiltonians into 0-, 1- and 2-body contributions (also 3-body for A=7) and analyze the systematic behavior of these different parts as a function of the mass number A and size of the NCSM basis space. The role of effective 3- and higher-body interactions for A>6 is investigated and discussed

Discrepancy between experimental and theoretical β\beta-decay rates resolved from first principles

$\beta$-decay, a process that changes a neutron into a proton (and vice versa), is the dominant decay mode of atomic nuclei. This decay offers a unique window to physics beyond the standard model, and is at the heart of microphysical processes in stellar explosions and the synthesis of the elements in the Universe. For 50 years, a central puzzle has been that observed $\beta$-decay rates are systematically smaller than theoretical predictions. This was attributed to an apparent quenching of the fundamental coupling constant $g_A \simeq$ 1.27 in the nucleus by a factor of about 0.75 compared to the $\beta$-decay of a free neutron. The origin of this quenching is controversial and has so far eluded a first-principles theoretical understanding. Here we address this puzzle and show that this quenching arises to a large extent from the coupling of the weak force to two nucleons as well as from strong correlations in the nucleus. We present state-of-the-art computations of $\beta$-decays from light to heavy nuclei. Our results are consistent with experimental data, including the pioneering measurement for $^{100}$Sn. These theoretical advances are enabled by systematic effective field theories of the strong and weak interactions combined with powerful quantum many-body techniques. This work paves the way for systematic theoretical predictions for fundamental physics problems. These include the synthesis of heavy elements in neutron star mergers and the search for neutrino-less double-$\beta$-decay, where an analogous quenching puzzle is a major source of uncertainty in extracting the neutrino mass scale.Comment: 20 pages, 18 figure

Effective operators from exact many-body renormalization

We construct effective two-body Hamiltonians and E2 operators for the p-shell by performing $16\hbar\Omega$ ab initio no-core shell model (NCSM) calculations for A=5 and A=6 nuclei and explicitly projecting the many-body Hamiltonians and E2 operator onto the $0\hbar\Omega$ space. We then separate the effective E2 operator into one-body and two-body contributions employing the two-body valence cluster approximation. We analyze the convergence of proton and neutron valence one-body contributions with increasing model space size and explore the role of valence two-body contributions. We show that the constructed effective E2 operator can be parametrized in terms of one-body effective charges giving a good estimate of the NCSM result for heavier p-shell nuclei.Comment: 9 pages, 8 figure

2-Oxoesters: A Novel Class of Potent and Selective Inhibitors of Cytosolic Group IVA Phospholipase A2.

Cytosolic phospholipase A2 (GIVA cPLA2) is the only PLA2 that exhibits a marked preference for hydrolysis of arachidonic acid containing phospholipid substrates releasing free arachidonic acid and lysophospholipids and giving rise to the generation of diverse lipid mediators involved in inflammatory conditions. Thus, the development of potent and selective GIVA cPLA2 inhibitors is of great importance. We have developed a novel class of such inhibitors based on the 2-oxoester functionality. This functionality in combination with a long aliphatic chain or a chain carrying an appropriate aromatic system, such as the biphenyl system, and a free carboxyl group leads to highly potent and selective GIVA cPLA2 inhibitors (X I(50) values 0.00007-0.00008) and docking studies aid in understanding this selectivity. A methyl 2-oxoester, with a short chain carrying a naphthalene ring, was found to preferentially inhibit the other major intracellular PLA2, the calcium-independent PLA2. In RAW264.7 macrophages, treatment with the most potent 2-oxoester GIVA cPLA2 inhibitor resulted in over 50% decrease in KLA-elicited prostaglandin D2 production. The novel, highly potent and selective GIVA cPLA2 inhibitors provide excellent tools for the study of the role of the enzyme and could contribute to the development of novel therapeutic agents for the treatment of inflammatory diseases

A mixed-mode shell-model theory for nuclear structure studies

We introduce a shell-model theory that combines traditional spherical states, which yield a diagonal representation of the usual single-particle interaction, with collective configurations that track deformations, and test the validity of this mixed-mode, oblique basis shell-model scheme on $^{24}$Mg. The correct binding energy (within 2% of the full-space result) as well as low-energy configurations that have greater than 90% overlap with full-space results are obtained in a space that spans less than 10% of the full space. The results suggest that a mixed-mode shell-model theory may be useful in situations where competing degrees of freedom dominate the dynamics and full-space calculations are not feasible.Comment: 20 pages, 8 figures, revtex 12p

Deuterium-tritium TFTR plasmas in the high poloidal beta regime

Deuterium-tritium plasmas with enhanced energy confinement and stability have been produced in the high poloidal beta, advanced tokamak regime in TFTR. Confinement enhancement H {triple_bond} {tau}{sub E}/{tau}{sub E ITER-89P} > 4 has been obtained in a limiter H-mode configuration at moderate plasma current I{sub p} = 0.85 {minus} 1.46 MA. By peaking the plasma current profile, {beta}{sub N dia} {triple_bond} 10{sup 8} aB{sub 0}/I{sub p} = 3 has been obtained in these plasma,s exceeding the {beta}{sub N} limit for TFTR plasmas with lower internal inductance, l{sub i}. Fusion power exceeding 6.7 MW with a fusion power gain Q{sub DT} = 0.22 has been produced with reduced alpha particle first orbit loss provided by the increased l{sub i}

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