Two complementary molecular energy decomposition schemes: the Mayer and Ziegler-Rauk methods in comparison

In the present paper we discuss and compare two different energy decomposition schemes: Mayer's Hartree-Fock energy decomposition into diatomic and monoatomic contributions [Chem. Phys. Lett. 382, 265 (2003)], and the Ziegler-Rauk dissociation energy decomposition [Inorg. Chem. 18, 1558 (1979)]. The Ziegler-Rauk scheme is based on a separation of a molecule into fragments, while Mayer's scheme can be used in the cases where a fragmentation of the system in clearly separable parts is not possible. In the Mayer scheme, the density of a free atom is deformed to give the one-atom Mulliken density that subsequently interacts to give rise to the diatomic interaction energy. We give a detailed analysis of the diatomic energy contributions in the Mayer scheme and a close look onto the one-atom Mulliken densities. The Mulliken density ρA has a single large maximum around the nuclear position of the atom A, but exhibits slightly negative values in the vicinity of neighboring atoms. The main connecting point between both analysis schemes is the electrostatic energy. Both decomposition schemes utilize the same electrostatic energy expression, but differ in how fragment densities are defined. In the Mayer scheme, the electrostatic component originates from the interaction of the Mulliken densities, while in the Ziegler-Rauk scheme, the undisturbed fragment densities interact. The values of the electrostatic energy resulting from the two schemes differ significantly but typically have the same order of magnitude. Both methods are useful and complementary since Mayer's decomposition focuses on the energy of the finally formed molecule, whereas the Ziegler-Rauk scheme describes the bond formation starting from undeformed fragment densities

Mesonic fluctuations in a nonlocal Nambu–Jona-Lasinio model

The effects of meson fluctuations are studied in a nonlocal generalization of the Nambu–Jona-Lasinio model, by including terms of next-to-leading order (NLO) in 1/Nc. In the model with only scalar and pseudoscalar interactions NLO contributions to the quark condensate are found to be very small. This is a result of cancellation between virtual mesons and Fock terms, which occurs for the parameter sets of most interest. In the quark self-energy, similar cancellations arise in the tadpole diagrams, although not in other NLO pieces which contribute at the 25% level. The effects on pion properties are also found to be small. NLO contributions from real pi-pi intermediate states increase the sigma meson mass by 30%. In an extended model with vector and axial interactions, there are indications that NLO effects could be larger.

Meson properties in an extended nonlocal NJL model

We consider a non-local version of the NJL model, based on a separable quark-quark interaction. The interaction is extended to include terms that bind vector and axial-vector mesons. The non-locality means that no further regulator is required. Moreover the model is able to confine the quarks by generating a quark propagator without poles at real energies. Working in the ladder approximation, we calculate amplitudes in Euclidean space and discuss features of their continuation to Minkowski energies. Conserved currents are constructed and we demonstrate their consistency with various Ward identities. Various meson masses are calculated, along with their strong and electromagnetic decay amplitudes. We also calculate the electromagnetic form factor of the pion, as well as form factors associated with the processes γγ* → π0 and ω → π0γ*. The results are found to lead to a satisfactory phenomenology and lend some dynamical support to the idea of vector-meson dominance.

Erratum to: “Photoproduction of heavy quarks in next-to-leading order QCD with longitudinally polarized initial states” [Nucl. Phys. B 540 (1999) 345]

There are three trivial misprints in our paper.

Photoproduction of heavy quarks in next-to-leading order QCD with longitudinally polarized initial states

We present all relevant details of our calculation of the complete next-to-leading order O(αS2α) QCD corrections to heavy flavor photoproduction with longitudinally polarized point-like photons and hadrons. In particular we provide analytical results for the virtual plus soft gluon cross section. We carefully address the relevance of remaining theoretical uncertainties by varying, for instance, the factorization and renormalization scales independently. Such studies are of importance for a meaningful first direct determination of the polarized gluon density Δg from the total charm production spin asymmetry by the upcoming COMPASS experiment. It is shown that the scale uncertainty is considerably reduced in next-to-leading order, but the dependence on the charm quark mass is sizable at fixed target energies. Finally, we study several differential single-inclusive heavy quark distributions and, for the polarized HERA option, the total bottom spin asymmetry.

Towards polarized hadroproduction of heavy quarks

Though leading order (LO) predictions for the hadroproduction of heavy quarks at RHIC look promising, next-to-leading order (NLO) corrections must be considered. First partonic NLO results are reported here.

Limitations of small x resummation methods from F2data

We discuss several methods of calculating the DIS structure functions F2(x,Q2) based on BFKL-type small x resummations. Taking into account new HERA data ranging down to small xand low Q2, the pure leading order BFKL-based approach is excluded. Other methods based on high energy factorization are closer to conventional renormalization group equations. Despite several difficulties and ambiguities in combining the renormalization group equations with small x resummed terms, we find that a fit to the current data is hardly feasible, since the data in the low Q2 region are not as steep as the BFKL formalism predicts. Thus we conclude that deviations from the (successful) renormalization group approach towards summing up logarithms in 1/x are disfavoured by experiment.

Pion mass effects on axion emission from neutron stars through NN bremsstrahlung processes

The rates of axion emission by nucleon-nucleon bremsstrahlung are calculated with the inclusion of the full momentum contribution from a nuclear one pion exchange (OPE) potential. The contributions of the neutron-neutron (nn), proton-proton (pp) and neutron-proton (np) processes in both the non-degenerate and degenerate limits are explicitly given. We find that the finite-momentum corrections to the emissivities are quantitatively significant for the non-degenerate regime and temperature-dependent, and should affect the existing axion mass hounds. The trend of these nuclear effects is to diminish the emissivities. (C) 2009 Elsevier B.V. All rights reserved.

Interaction of strangelets with ordinary nuclei

Strangelets (hypothetical stable lumps of strange quarkmatter) of astrophysical origin may be ultimately detected in specific cosmic ray experiments. The initial mass distribution resulting from the possible astrophysical production sites would be subject to reprocessing in the interstellar medium and in the earth`s atmosphere. In order to get a better understanding of the claims for the detection of this still hypothetic state of hadronic matter, we present a study of strangelet-nucleus interactions including several physical processes of interest (abrasion, fusion, fission, excitation and de-excitation of the strangelets), to address the fate of the baryon number along the strangelet path. It is shown that, although fusion may be important for low-energy strangelets in the interstellar medium (thus increasing the initial baryon number A), in the earth`s atmosphere the loss of the baryon number should be the dominant process. The consequences of these findings are briefly addressed.

Thermal photon production in Au plus Au collisions: Viscous corrections in two different hydrodynamic formalisms

We calculate the spectra of produced thermal photons in Au + Au collisions taking into account the nonequilibrium contribution to photon production due to finite shear viscosity. The evolution of the fireball is modeled by second-order as well as by divergence-type 2 + 1 dissipative hydrodynamics, both with an ideal equation of state and with one based on Lattice QCD that includes an analytical crossover. The spectrum calculated in the divergence-type theory is considerably enhanced with respect to the one calculated in the second-order theory, the difference being entirely due to differences in the viscous corrections to photon production. Our results show that the differences in hydrodynamic formalisms are an important source of uncertainty in the extraction of the value of eta/s from measured photon spectra. The uncertainty in the value of eta/s associated with different hydrodynamic models used to compute thermal photon spectra is larger than the one occurring in matching hadron elliptic flow to RHIC data. (C) 2010 Elsevier B.V. All rights reserved.

D*D rho vertex from QCD sum rules

We calculate the form factors and the coupling constant in the D*D rho vertex in the framework of QCD sum rules. We evaluate the three-point correlation functions of the vertex considering D, rho and D* mesons off-shell. The form factors obtained are very different but give the same coupling constant: g(D*D rho) = 4.3 +/- 0.9 GeV(-1). (C) 2011 Elsevier B.V. All rights reserved.

Looking for intrinsic charm in the forward region at BNL RHIC and CERN LHC

The complete understanding of the basic constituents of hadrons and the hadronic dynamics at high energies are two of the main challenges for the theory of strong interactions. In particular, the existence of intrinsic heavy quark components in the hadron wave function must be confirmed (or disproved). In this paper we propose a new mechanism for the production of D-mesons at forward rapidities based on the Color Glass Condensate (CGC) formalism and demonstrate that the resulting transverse momentum spectra are strongly dependent on the behavior of the charm distribution at large Bjorken x. Our results show clearly that the hypothesis of intrinsic charm can be tested in pp and p(d)A collisions at RHIC and LHC. (C) 2010 Elsevier B.V. All rights reserved.

New exotic charmonium states

In the last years many states in the charmonium mass region were discovery by BABAR, Belle and CDF collaborations I discuss some of these discoveries, and how the QCD Sum Rule approach can be used to understand the structure of these states

Fragment mass distributions in the fission of heavy nuclei by intermediate- and high-energy probes

Recent experiments have shown that the multimode approach for describing the fission process is compatible with the observed results. Asystematic analysis of the parameters obtained by fitting the fission-fragment mass distribution to the spontaneous and low-energy data has shown that the values for those parameters present a smooth dependence upon the nuclear mass number. In this work, a new methodology is introduced for studying fragment mass distributions through the multimode approach. It is shown that for fission induced by energetic probes (E > 30 MeV) the mass distribution of the fissioning nuclei produced during the intranuclear cascade and evaporation processes must be considered in order to have a realistic description of the fission process. The method is applied to study (208)Pb, (238)U, (239)Np and (241)Am fission induced by protons or photons.

The long wavelength limit of hard thermal loop effective actions

We derive a closed form expression for the long wavelength limit of the effective action for hard thermal loops in an external gravitational field. It is a function of the metric, independent of time derivatives. It is compared and contrasted with the static limit, and with the corresponding limits in an external Yang-Mills field. (C) 2009 Elsevier B.V. All rights reserved.