The argon nuclear quadrupole moments

New standard values -116(2) mb and 76(3) mb are suggested for the nuclear quadrupole moments (Q) of the ³⁹Ar and ³⁷Ar nuclei, respectively. The Q values were obtained by combining optical measurements of the quadrupole coupling constant (B or eqQ/h) of the 3s²3p⁵4s[3/2]₂ (³P^o) and 3s²3p⁵4p[5/2]₃ (³D^e) states of argon with large scale numerical complete active space self-consistent field and restricted active space self-consistent field calculations of the electric field gradient at the nucleus (q) using the LUCAS code, which is a finite-element based multiconfiguration Hartree–Fock program for atomic structure calculations.     

Calculations of Three-Nucleon Reactions

Faddeev calculations using the chiral three-nucleon force in next-to-next-to-next-to-leading-order show that this force is too weak to provide an explanation for the low-energy A _y puzzle. The large discrepancy between data and theory for the neutron–neutron quasi-free-scattering cross section in low energy neutron–deuteron breakup requires a modification of the ${^{1}S_0}$ neutron–neutron force. We discuss the consequences that a bound ${^{1}S_0}$ state of two neutrons has on neutron–deuteron scattering observables. At higher energies we compare the solutions of the non-relativistic three-nucleon Faddeev equations with three-nucleon force included to the solutions of its Poincaré invariant version.     

Determination of the two dimensional distribution of the attempt relaxation times and activation energies from temperature dependence of dielectric dispersion

We present a method for numerical calculation of two dimensional distributions of the attempt relaxation times and activation energies from the temperature dependence of the experimental dielectric permittivity dispersion. We introduce empirical attempts to account for broad and/or asymmetric dispersions with the idea of using a weighted collection of Debye relaxation times. Then we present a modification of the aforementioned idea including attempt relaxation time and activation energy using the Arrhenius law, which significantly complicates the computation of the aforementioned distribution. Incorporating the activation energy and the attempt relaxation time into the equation transforms the discretized matrix equations into tensor equations. We rework the tensor equations into simpler matrix equations, thus permitting us to solve the presented discretized integral equation by using existing Least Distance Problem solving methods. Also, we present a regularization method and a way to choose the regularization parameter based on a best fit criterion. In the end we discuss the method showing some simulated results and experimental results. We then point out some problems involved in the calculations and propose methods to reduce their significance.     

Matter-wave interferometer for large molecules

We demonstrate a near-field Talbot-Lau interferometer for C70 fullerene molecules. Such interferometers are particularly suitable for larger masses. Using three free-standing gold gratings of 1 microm period and a transversally incoherent but velocity-selected molecular beam, we achieve an interference fringe visibility of 40% with high count rate. Both the high visibility and its velocity dependence are in good agreement with a quantum simulation that takes into account the van der Waals interaction of the molecules with the gratings and are in striking contrast to a classical moiré model.     

Observation and theoretical description of periodic geometric rearrangement in electronically excited nonstoichiometric sodium-fluoride clusters

We present two-color fs pump-probe spectra of Na2F which were recorded by employing excitation wavelengths around 1208 nm (pump) and ionization wavelengths around 405 nm (probe). The observed oscillatory structure of the signal with a period of 185 fs shows an excellent agreement with our simulated spectra. The employed ab initio Wigner distribution approach provides clear evidence that this observation is caused by photoinduced metal bond breaking followed by a butterfly-type periodic geometric rearrangement.     

Self-diffusion rates in Al from combined first-principles and model-potential calculations

Monovacancy diffusion alone dominates over diffusion due to divacancies and interstitials in Al for all temperatures up to the melting point. Deviations from a single Arrhenius dependence are due to anharmonicity. The conclusion is based on a combination of theoretical methods, from density functional theory to thermodynamic integration, without fitting to experimental data. The calculated diffusion rate agrees with experimental data over 11 orders of magnitude.     

Exchangelike effects for closed-shell adsorbates: interface dipole and work function

Based on detailed theoretical analyses, we present, for the first time, direct evidence that the significant interface dipole commonly observed for atoms and molecules physisorbed on metal surfaces originates from exchangelike effects. In the case of Xe, previously proposed contributions from chemical interactions do not play a significant role.     

Rho(0) meson production in the pp-->pppi(+)pi(-) reaction at 3.67 GeV/c

Total and differential cross sections for the exclusive reaction pp-->pp rho observed via the pi(+)pi(-) decay channel have been measured at p(beam)=3.67 GeV/c. The observed total meson production cross section is determined to be (23.4+/-0.8+/-8) mu b and is significantly lower than typical cross sections used in model calculations for heavy-ion collisions. The differential cross sections measured indicate a strong anisotropy (approximately cos(theta(CM)(rho)) in the rho(0) meson production.