Structure determination from powder data : Mogul and CASTEP

When solving the crystal structure of complex molecules from powder data, accurately locating the global minimum can be challenging, particularly where the number of internal degrees of freedom is large. The program Mogul provides a convenient means to access typical torsion angle ranges for fragments related to the molecule of interest. The impact that the application of modal torsion angle constraints has on the structure determination process of two structure solution attempts using DASH is presented. Once solved, accurate refinement of a molecular structure against powder data can also present challenges. Geometry optimisation using density functional theory in CASTEP is shown to be an effective means to locate hydrogen atom positions reliably and return a more accurate description of molecular conformation and intermolecular interactions than global optimisation and Rietveld refinement alone

Radiative corrections to the structure functions and sum rules in polarized DIS

The one-loop NLO radiative corrections to the observables in polarized DIS using assumption that a quark is an essential massive particle are considered. If compared with classical QCD formulae the obtained results are identical for the unpolarized and different for polarized sum rules, that can be explained as the influence of the finite quark mass effects on NLO QCD corrections. The explicit expression for one-loop NLO QCD contribution to the structure function g_2 is presented.Comment: 6 pages,1 figure. Talk given at the International Workshop "Symmetry And Spin" - PRAHA-SPIN'9

Induced pseudoscalar form factor of the nucleon at two-loop order in chiral perturbation theory

We calculate the imaginary part of the induced pseudoscalar form factor of the nucleon $G_P(t)$ in the framework of two-loop heavy baryon chiral perturbation theory. The effect of the calculated three-pion continuum on the pseudoscalar constant $g_P = (m_\mu/2M) G_P(t=-0.877m_\mu^2)$ measurable in ordinary muon capture $\mu^-p\to \nu_\mu n$ turns out to be negligibly small. Possible contributions from counterterms at two-loop order are numerically smaller than the uncertainty of the dominant pion-pole term proportional to the pion-nucleon coupling constant $g_{\pi N}= 13.2\pm 0.2$. We conclude that a sufficiently accurate representation of the induced pseudoscalar form factor of the nucleon at low momentum transfers $t$ is given by the sum of the pion-pole term and the Adler-Dothan-Wolfenstein term: $G_P(t) = 4g_{\pi N} M f_\pi/ (m_\pi^2 -t)- 2g_A M^2 /3$, with $= (0.44 \pm 0.02)$ fm$^2$ the axial mean square radius of the nucleon.Comment: 6 pages, 2 figures, accepted for publication in Physical Review

Constraints on R-parity violating couplings from LEP/SLD hadronic observables

We analyze the one loop corrections to hadronic Z decays in an R-parity violating extension to the Minimal Supersymmetric Standard Model (MSSM). Performing a global fit to all the hadronic observables at the Z-peak, we obtain stringent constraints on the R-violating couplings constants lambda' and lambda''. As a result of the strong constraints from the b asymmetry parameters A_b and A_FB(b), we find that the couplings lambda'{i31}, lambda'{i32}, and lambda''{321} are ruled out at the 1 sigma level, and that lambda'{i33} and lambda''{33i} are ruled out at the 2 sigma level. We also obtain Bayesian confidence limits for the R-violating couplings.Comment: 30 pages, 19 postscript figures, REVTeX, new section 8 on Bayesian confidence limits adde

Standard SANC modules for NLO QCD Radiative Corrections to Single-top Production

It this paper we present the results obtained with the newly created Standard SANC modules for calculation of the NLO QCD corrections to single top production processes in s and t channels at the partonic level, as well as top-decays. The main aim of these results is to prove the correct work of modules. A comprehensive comparison with results of the CompHEP system is given, where possible. These modules are intended to be used in Monte Carlo generators for single top production processes at the LHC. As in our recent paper, devoted to the electroweak corrections to these processes, we study the regularization of the top-legs associated infrared divergences with aid of the complex mass of the top quark. A comparison of QCD corrections with those computed by the conventional method is presented both for top production and decays. For s channel production we give an analytic proof of equivalence of the two methods in the limit of low top width.Comment: 21 pages, 2 figures, 17 table

Constraints on R-parity violating couplings from lepton universality

We analyze the one loop corrections to leptonic W and Z decays in an R-parity violating extension to the Minimal Supersymmetric Standard Model (MSSM). We find that lepton universality violation in the Z line-shape variables alone would strengthen the bounds on the magnitudes of the lambda' couplings, but a global fit on all data leaves the bounds virtually unchanged at |lambda'_{33k}| < 0.42 and |lambda'_{23k}| < 0.50 at the 2 sigma level. Bounds from W decays are less stringent: |lambda'_{33k}| < 2.4 at 2 sigma, as a consequence of the weaker Fermilab experimental bounds on lepton universality violation in W decays. We also point out the potential of constraining R-parity violating couplings from the measurement of the Upsilon invisible width.Comment: 26pages, 8 postscript figures, REVTeX. Updated references. Typos correcte

Factorization effects in a model of unstable particles

The effects of factorization are considered within the framework of the model of unstable particles with a smeared mass. It is shown that two-particle cross section and three-particle decay width can be described by the universal factorized formulae for an unstable particles of an arbitrary spin in an intermediate state. The exact factorization is caused by the specific structure of the model unstable-particle propagators. This result is generalized to complicated scattering and decay-chain processes with unstable particles in intermediate states. We analyze applicability of the method and evaluate its accuracy.Comment: 13 pages, 7 figure

Threshold Behaviour in Gauge Boson Pair Production at LEP 2

We discuss the form of the amplitude for gauge boson pair production at or near threshold.We show that in the case of W-pair production at LEP2 near threshold only one anomalous electromagnetic coupling can contribute. This anomalous coupling is CP violating and contributes to the electric dipole moment of the $W$. Since this coupling is likely to be small, it is important to look for ZZgamma couplings in Zgamma production. These couplings are not suppressed at the W-threshold

Quadratic Word Equations with Length Constraints, Counter Systems, and Presburger Arithmetic with Divisibility

Word equations are a crucial element in the theoretical foundation of constraint solving over strings, which have received a lot of attention in recent years. A word equation relates two words over string variables and constants. Its solution amounts to a function mapping variables to constant strings that equate the left and right hand sides of the equation. While the problem of solving word equations is decidable, the decidability of the problem of solving a word equation with a length constraint (i.e., a constraint relating the lengths of words in the word equation) has remained a long-standing open problem. In this paper, we focus on the subclass of quadratic word equations, i.e., in which each variable occurs at most twice. We first show that the length abstractions of solutions to quadratic word equations are in general not Presburger-definable. We then describe a class of counter systems with Presburger transition relations which capture the length abstraction of a quadratic word equation with regular constraints. We provide an encoding of the effect of a simple loop of the counter systems in the theory of existential Presburger Arithmetic with divisibility (PAD). Since PAD is decidable, we get a decision procedure for quadratic words equations with length constraints for which the associated counter system is \emph{flat} (i.e., all nodes belong to at most one cycle). We show a decidability result (in fact, also an NP algorithm with a PAD oracle) for a recently proposed NP-complete fragment of word equations called regular-oriented word equations, together with length constraints. Decidability holds when the constraints are additionally extended with regular constraints with a 1-weak control structure.Comment: 18 page

QCD Accurately Predicts the Induced Pseudoscalar Coupling Constant

Using chiral Ward identities of QCD, we derive a relation for the induced pseudoscalar coupling constant which is accurate within a few percent, $g_P = 8.44 \pm 0.16$.Comment: 5pp, LaTeX, CRN-94/1