Structural fluctuations and quantum transport through DNA molecular wires: a combined molecular dynamics and model Hamiltonian approach

Charge transport through a short DNA oligomer (Dickerson dodecamer) in presence of structural fluctuations is investigated using a hybrid computational methodology based on a combination of quantum mechanical electronic structure calculations and classical molecular dynamics simulations with a model Hamiltonian approach. Based on a fragment orbital description, the DNA electronic structure can be coarse-grained in a very efficient way. The influence of dynamical fluctuations arising either from the solvent fluctuations or from base-pair vibrational modes can be taken into account in a straightforward way through time series of the effective DNA electronic parameters, evaluated at snapshots along the MD trajectory. We show that charge transport can be promoted through the coupling to solvent fluctuations, which gate the onsite energies along the DNA wire

Charge transport through bio-molecular wires in a solvent: Bridging molecular dynamics and model Hamiltonian approaches

We present a hybrid method based on a combination of quantum/classical molecular dynamics (MD) simulations and a mod el Hamiltonian approach to describe charge transport through bio-molecular wires with variable lengths in presence o f a solvent. The core of our approach consists in a mapping of the bio-molecular electronic structure, as obtained f rom density-functional based tight-binding calculations of molecular structures along MD trajectories, onto a low di mensional model Hamiltonian including the coupling to a dissipative bosonic environment. The latter encodes fluctuat ion effects arising from the solvent and from the molecular conformational dynamics. We apply this approach to the c ase of pG-pC and pA-pT DNA oligomers as paradigmatic cases and show that the DNA conformational fluctuations are essential in determining and supporting charge transport

The Effects of a New Vector Boson on the Top Quark Cross Section at the Tevatron

It has recently been shown that a new neutral vector boson $Z'$, with a mass of order 1~TeV and weak couplings to quarks only, could explain both the anomalous values of $R_b$ and $R_c$ and the apparent excess of large $E_T$ jet events measured by the CDF collaboration. We calculate the effects of $Z'$ exchange on the $t\bar{t}$ production cross section at Tevatron $p \bar p$ collider energies, including next-to-leading-order QCD corrections. We find a significant enhancement of the cross section and study the resulting $t \bar t$ invariant mass distribution, which could provide a decisive test of the $Z'$ model.Comment: 7 pages, LATEX, 4 figures include

Power corrections and renormalons in Drell-Yan production

The resummed Drell-Yan cross section in the double-logarithmic approximation suffers from infrared renormalons. Their presence was interpreted as an indication for non-perturbative corrections of order \lqcd/(Q(1-z)). We find that, once soft gluon emission is accurately taken into account, the leading renormalon divergence in the resummed cross section is cancelled by higher-order perturbative contributions in the exponent of the resummed cross section. From this evidence, `higher twist' corrections to the hard cross section in Drell-Yan production should therefore intervene only at order \lqcd^2/((Q^2 (1-z)^2) in the entire perturbative domain Q (1-z) > \lqcd. We compare this result with hadronic event shape variables, comment on the potential universality of non-perturbative corrections to resummed cross sections, and on possible implications for phenomenology.Comment: 37 pages, LATEX, 3 figures as uudecoded fil

QCD corrections to the longitudinally polarized Drell-Yan process

In this paper we calculate the O($\alpha_s$) corrections to the $x_F$- and $y$-distributions of lepton pairs produced in collisions of longitudinally polarized hadrons. The numerical importance of these corrections is studied and consequences for the extraction of the polarized sea quark distributions from a measurement of the longitudinally polarized Drell-Yan cross section are discussed.Comment: 21 pages, LaTeX, 8 figures include

Calculating Dilepton Rates from Monte Carlo Simulations of Parton Production

To calculate dilepton rates in a Monte Carlo simulation of ultrarelativistic heavy ion collisions, one usually scales the number of similar QCD processes by a ratio of the corresponding differential probabilities. We derive the formula for such a ratio especially for dilepton bremsstrahlung processes. We also discuss the non-triviality of including higher order corrections to direct Drell-Yan process. The resultant mass spectra from our Monte Carlo simulation are consistent with the semi-analytical calculation using dilepton fragmentation functions.Comment: 14 pages in RevTex, 3 figures in uuencoded files, LBL-3466

Correction Factors for Reactions involving Quark-Antiquark Annihilation or Production

In reactions with $q \bar q$ production or $q\bar q$ annihilation, initial- and final-state interactions give rise to large corrections to the lowest-order cross sections. We evaluate the correction factor first for low relative kinetic energies by studying the distortion of the relative wave function. We then follow the procedure of Schwinger to interpolate this result with the well-known perturbative QCD vertex correction factors at high energies, to obtain an explicit semi-empirical correction factor applicable to the whole range of energies. The correction factor predicts an enhancement for $q\bar q$ in color-singlet states and a suppression for color-octet states, the effect increasing as the relative velocity decreases. Consequences on dilepton production in the quark-gluon plasma, the Drell-Yan process, and heavy quark production processes are discussed.Comment: 25 pages (REVTeX), includes 2 uuencoded compressed postscript figure

QCD and Yukawa corrections to single-top-quark production via q qbar -> t bbar

We calculate the O(alpha_s) and O(alpha_W m_t^2/M_W^2) corrections to the production of a single top quark via the weak process q qbar -> t bbar at the Fermilab Tevatron and the CERN Large Hadron Collider. An accurate calculation of the cross section is necessary in order to extract |V_tb| from experiment.Comment: LaTeX, 13 pages, replaced with version to appear in Phys. Rev.

Predictions for Higgs production at the Tevatron and the associated uncertainties

We update the theoretical predictions for the production cross sections of the Standard Model Higgs boson at the Fermilab Tevatron collider, focusing on the two main search channels, the gluon-gluon fusion mechanism $gg \to H$ and the Higgs-strahlung processes $q \bar q \to VH$ with $V=W/Z$, including all relevant higher order QCD and electroweak corrections in perturbation theory. We then estimate the various uncertainties affecting these predictions: the scale uncertainties which are viewed as a measure of the unknown higher order effects, the uncertainties from the parton distribution functions and the related errors on the strong coupling constant, as well as the uncertainties due to the use of an effective theory approach in the determination of the radiative corrections in the $gg \to H$ process at next-to-next-to-leading order. We find that while the cross sections are well under control in the Higgs--strahlung processes, the theoretical uncertainties are rather large in the case of the gluon-gluon fusion channel, possibly shifting the central values of the next-to-next-to-leading order cross sections by more than $\approx 40$. These uncertainties are thus significantly larger than the $\approx 10$ error assumed by the CDF and D0 experiments in their recent analysis that has excluded the Higgs mass range $M_H=$162-166 GeV at the 95% confidence level. These exclusion limits should be, therefore, reconsidered in the light of these large theoretical uncertainties.Comment: 40 pages, 12 figures. A few typos are corrected and some updated numbers are provide