The heat of atomization of sulfur trioxide, SO3_3 - a benchmark for computational thermochemistry

Calibration ab initio (direct coupled cluster) calculations including basis set extrapolation, relativistic effects, inner-shell correlation, and an anharmonic zero-point energy, predict the total atomization energy at 0 K of SO$_3$ to be 335.96 (observed 335.92$\pm$0.19) kcal/mol. Inner polarization functions make very large (40 kcal/mol with $spd$, 10 kcal/mol with $spdfg$ basis sets) contributions to the SCF part of the binding energy. The molecule presents an unusual hurdle for less computationally intensive theoretical thermochemistry methods and is proposed as a benchmark for them. A slight modification of Weizmann-1 (W1) theory is proposed that appears to significantly improve performance for second-row compounds.Comment: Chem. Phys. Lett., in pres

Characterization of quantum states in predicative logic

We develop a characterization of quantum states by means of first order variables and random variables, within a predicative logic with equality, in the framework of basic logic and its definitory equations. We introduce the notion of random first order domain and find a characterization of pure states in predicative logic and mixed states in propositional logic, due to a focusing condition. We discuss the role of first order variables and the related contextuality, in terms of sequents.Comment: 14 pages, Boston, IQSA10, to appea

Measuring the prompt atmospheric neutrino flux with down-going muons in neutrino telescopes

In the TeV energy region and above, the uncertainty in the level of prompt atmospheric neutrinos would limit the search for diffuse astrophysical neutrinos. We suggest that neutrino telescopes may provide an empirical determination of the flux of prompt atmospheric electron and muon neutrinos by measuring the flux of prompt down-going muons. Our suggestion is based on the consideration that prompt neutrino and prompt muon fluxes at sea level are almost identical.Comment: 4 pages, 3 figure

The Charm Content of W+1 Jet Events as a Probe of the Strange Quark Distribution Function

We investigate the prospects for measuring the strange quark distribution function of the proton in associated $W$ plus charm quark production at the Tevatron. The $W+c$ quark signal produced by strange quark -- gluon fusion, $sg\rightarrow W^-c$ and $\bar sg\rightarrow W^+\bar c$, is approximately 5\% of the inclusive $W+1$ jet cross section for jets with a transverse momentum $p_T(j)>10$~GeV. We study the sensitivity of the $W$ plus charm quark cross section to the parametrization of the strange quark distribution function, and evaluate the various background processes. Strategies to identify charm quarks in CDF and D\O \ are discussed. For a charm tagging efficiency of about 10\% and an integrated luminosity of 30~pb$^{-1}$ or more, it should be possible to constrain the strange quark distribution function from $W+c$ production at the Tevatron.Comment: submitted to Phys. Lett. B, Latex, 12 pages + 4 postscript figures encoded with uufile, FSU-HEP-930812, MAD/TH/93-6, MAD/PH/788. A postscript file with text and embedded figures is available via anonymous ftp at hepsg1.physics.fsu.edu, file is /pub/keller/fsu-hep-930812.p

Speed, Algorithmic Trading, and Market Quality around Macroeconomic News Announcements

This paper documents that speed is crucially important for high frequency trading strategies based on U.S. macroeconomic news releases. Using order level data of the highly liquid S&P500 ETF traded on NASDAQ from January 6, 2009, to December 12, 2011, we find that a delay of 300 milliseconds (1 second) significantly reduces returns by 3.08% (7.33%) compared to instantaneous execution over all announcements in the sample. This reduction is stronger in case of high impact news and on days with high volatility. In addition, we assess the effect of algorithmic trading on market quality around macroeconomic news. Increases in algorithmic trading activity have a positive (mixed) effect on market quality measures when we use algorithmic trading proxies that capture the top of the orderbook (full orderbook)

The ground-state spectroscopic constants of Be_2 revisited

Extensive ab initio calibration calculations combined with extrapolations towards the infinite-basis limit lead to a ground-state dissociation energy of Be_2, D_e=944 \pm 25 1/cm, substantially higher than the accepted experimental value, and confirming recent theoretical findings. Our best computed spectroscopic observables (expt. values in parameters) are G(1)-G(0)=223.7 (223.8), G(2)-G(1)=173.8 (169 \pm 3), G(3)-G(2)=125.4 (122 \pm 3), and B_0=0.6086 (0.609) 1/cm; revised spectroscopic constants are proposed. Multireference calculations based on a full valence CAS(4/8) reference suffer from an unbalanced description of angular correlation; for the utmost accuracy, a CAS(4/16) reference including the $(3s,3p)$ orbitals is required, while for less accurate work a CAS(4/4) reference is recommended. The quality of computed coupled cluster results depends crucially on the description of connected triple excitations; the CC5SD(T) method yields unusually good results because of an error compensation.Comment: Chem. Phys. Lett., in pres

Prompt atmospheric neutrinos and muons: dependence on the gluon distribution function

We compute the next-to-leading order QCD predictions for the vertical flux of atmospheric muons and neutrinos from decays of charmed particles, for different PDF's (MRS-R1, MRS-R2, CTEQ-4M and MRST) and different extrapolations of these at small partonic momentum fraction x. We find that the predicted fluxes vary up to almost two orders of magnitude at the largest energies studied, depending on the chosen extrapolation of the PDF's. We show that the spectral index of the atmospheric leptonic fluxes depends linearly on the slope of the gluon distribution function at very small x. This suggests the possibility of obtaining some bounds on this slope in ``neutrino telescopes'', at values of x not reachable at colliders, provided the spectral index of atmospheric leptonic fluxes could be determined.Comment: 20 pages including 8 figure

High-Frequency Technical Trading: The Importance of Speed

This paper investigates the importance of speed for technical trading rule performance for three highly liquid ETFs listed on NASDAQ over the period January 6, 2009 up to September 30, 2009. In addition we examine the characteristics of market activity over the day and within subperiods corresponding to hours, minutes, and seconds. Speed has a clear impact on the return of technical trading rules. For strategies that yield a positive return when they experience no delay, a delay of 200 milliseconds is enough to lower performance significantly. On low volatility days this is already the case for delays larger than 50 milliseconds. In addition, the importance of speed for trading rule performance increases over time. Market activity follows a U-shape over the day with a spike at 10:00AM due to macroeconomic announcements and is characterized by periodic activity within the day, hour, minute, and second

Anharmonic force fields of perchloric acid, HClO4_4, and perchloric anhydride, Cl2_2O7_7. An extreme case of inner polarization

DFT (density functional theory) anharmonic force fields with basis sets near the Kohn-Sham limit have been obtained for perchloric acid, HClO$_4$, and perchloric anhydride, Cl$_2$O$_7$. Calculated fundamental frequencies are in very good agreement with available experimental data. Some reassignments in the vibrational spectra of Cl$_2$O$_7$ are proposed based on our calculations. HClO$_4$ and Cl$_2$O$_7$ are particularly severe examples of the `inner polarization' phenomenon. The polarization consistent basis sets pc-1 and pc-2 (as well as their augmented counterparts) should be supplemented with two (preferably three) and one (preferably two) high-exponent $d$ functions, respectively, on second-row atoms. Complete anharmonic force fields are available as electronic supporting information.Comment: J. Mol. Struct., in press (special issue); Electronic Supporting Information at http://theochem.weizmann.ac.il/web/papers/Cl2O7.htm