The DFT+U: Approaches, Accuracy, and Applications

This chapter introduces the Hubbard model and its applicability as a corrective tool for accurate modeling of the electronic properties of various classes of systems. The attainment of a correct description of electronic structure is critical for predicting further electronic-related properties, including intermolecular interactions and formation energies. The chapter begins with an introduction to the formulation of density functional theory (DFT) functionals, while addressing the origin of bandgap problem with correlated materials. Then, the corrective approaches proposed to solve the DFT bandgap problem are reviewed, while comparing them in terms of accuracy and computational cost. The Hubbard model will then offer a simple approach to correctly describe the behavior of highly correlated materials, known as the Mott insulators. Based on Hubbard model, DFT+U scheme is built, which is computationally convenient for accurate calculations of electronic structures. Later in this chapter, the computational and semiempirical methods of optimizing the value of the Coulomb interaction potential (U) are discussed, while evaluating the conditions under which it can be most predictive. The chapter focuses on highlighting the use of U to correct the description of the physical properties, by reviewing the results of case studies presented in literature for various classes of materials

Search for Neutrinoless Double-Beta Decay in 136^{136}Xe with EXO-200

We report on a search for neutrinoless double-beta decay of $^{136}$Xe with EXO-200. No signal is observed for an exposure of 32.5 kg-yr, with a background of ~1.5 x 10^{-3} /(kg yr keV) in the $\pm 1\sigma$ region of interest. This sets a lower limit on the half-life of the neutrinoless double-beta decay $T_{1/2}^{0\nu\beta\beta}$($^{136}$Xe) > 1.6 x 10$^{25}$ yr (90% CL), corresponding to effective Majorana masses of less than 140-380 meV, depending on the matrix element calculation

Measurement of the pn→ppπ0π−pn \to pp\pi^0\pi^- Reaction in Search for the Recently Observed Resonance Structure in dπ0π0d\pi^0\pi^0 and dπ+π−d\pi^+\pi^- systems

Exclusive measurements of the quasi-free $pn \to pp\pi^0\pi^-$ reaction have been performed by means of $pd$ collisions at $T_p$ = 1.2 GeV using the WASA detector setup at COSY. Total and differential cross sections have been obtained covering the energy region $\sqrt s$ = (2.35 - 2.46) GeV, which includes the region of the ABC effect and its associated resonance structure. No ABC effect, {\it i.e.} low-mass enhancement is found in the $\pi^0\pi^-$-invariant mass spectrum -- in agreement with the constraint from Bose statistics that the isovector pion pair can not be in relative s-wave. At the upper end of the covered energy region $t$-channel processes for Roper, $\Delta(1600)$ and $\Delta\Delta$ excitations provide a reasonable description of the data, but at low energies the measured cross sections are much larger than predicted by such processes. Adding a resonance amplitude for the resonance at $m$=~2.37 GeV with $\Gamma$ =~70 MeV and $I(J^P)=~0(3^+)$ observed recently in $pn \to d\pi^0\pi^0$ and $pn \to d\pi^+\pi^-$ reactions leads to an agreement with the data also at low energies

Search for the eta-mesic 4He with WASA-at-COSY detector

An exclusive measurement of the excitation function for the dd->3Heppi- reaction was performed at the Cooler Synchrotron COSY-Juelich with the WASA-at-COSY detection system. The data were taken during a slow acceleration of the beam from 2.185 GeV/c to 2.400 GeV/c crossing the kinematic threshold for the eta meson production in the dd->4He-eta reaction at 2.336 GeV/c. The corresponding excess energy with respect to the 4He-eta system varied from -51.4MeV to 22MeV. The integrated luminosity in the experiment was determined using the dd->3Hen reaction. The shape of the excitation function for the dd->3Heppi- was examined. No signal of the 4He-eta bound state was observed. An upper limit for the cross-section for the bound state formation and decay in the process dd->(4He-eta)bound->3Heppi- was determined on the 90% confidence level and it varies from 20nb to 27nb for the bound state width ranging from 5MeV to 35MeV, respectively.Comment: 8 pages, 9 figure

Search for a dark photon in the π0→e+e−γ\pi^0 \to e^+e^-\gamma decay

The presently world largest data sample of pi0 --> gamma e+e- decays containing nearly 5E5 events was collected using the WASA detector at COSY. A search for a dark photon U produced in the pi0 --> gamma U --> gamma e+e- decay from the pp-->pp\pi^0 reaction was carried out. An upper limit on the square of the U-gamma mixing strength parameter epsilon^2 of 5e-6 at 90% CL was obtained for the mass range 20 MeV <M_U< 100 MeV. This result together with other recent experimental limits significantly reduces the M_U vs. \epsilon^2 parameter space preferred by the measured value of the muon anomalous magnetic moment.Comment: 16 pages, 8 figures; improved analysis extending the exclusion region to 20 MeV<M_U< 100 MeV; implemented changes requested by referee