1,021 research outputs found
Ab initio linear scaling response theory: Electric polarizability by perturbed projection
A linear scaling method for calculation of the static {\em ab inito} response
within self-consistent field theory is developed and applied to calculation of
the static electric polarizability. The method is based on density matrix
perturbation theory [Niklasson and Challacombe, cond-mat/0311591], obtaining
response functions directly via a perturbative approach to spectral projection.
The accuracy and efficiency of the linear scaling method is demonstrated for a
series of three-dimensional water clusters at the RHF/6-31G** level of theory.
Locality of the response under a global electric field perturbation is
numerically demonstrated by approximate exponential decay of derivative density
matrix elements.Comment: 4.25 pages in PRL format, 2 figure
Electronic, vibrational and magnetic properties of a novel C_{48}N_{12} aza-fullerene
We study the structural, electronic, vibrational and magnetic properties of a
novel aza-fullerene using density functional theory
and restricted Hartree-Fock theory. Optimized geometries and total energy of
this fullerene have been calculated. We find that for the total ground state energy is about -67617 eV, the HOMO-LUMO gap is
about 1.9 eV, five strong IR spectral lines are located at the vibrational
frequencies, 461.5 , 568.4 , 579.3 , 1236.1 , 1338.9 , the Raman scattering
activities and depolarization ratios are zero, and 10 NMR spectral signals are
predicted. Calculations of diamagnetic shielding factor, static dipole
polarizabilities and hyperpolarizabilities of are
performed and discussed.Comment: published in Chem.Phys.Let
Measurement of the Strong Coupling Constant from Inclusive Jet Production at the Tevatron Collider
We report a measurement of the strong coupling constant, ,
extracted from inclusive jet production in collisions at
1800 GeV. The QCD prediction for the evolution of with
jet transverse energy is tested over the range 40<<450 GeV using
for the renormalization scale. The data show good agreement with QCD in
the region below 250 GeV. In the text we discuss the data-theory comparison in
the region from 250 to 450 GeV. The value of at the mass of the
boson averaged over the range 40<<250 GeV is found to be
. The associated theoretical uncertainties are mainly due to the choice
of renormalization scale (^{+6%}_{-4%}) and input parton distribution
functions (5%).Comment: 7 pages, 3 figures, using RevTeX. Submitted to Physical Review
Letter
Multi-layered ZIF-coated cells for the release of bioactive molecules in hostile environments
Published on 01 August 2022Metal-organic framework (MOF) coatings on cells enhance viability in cytotoxic environments. Here, we show how protective multi-layered MOF bio-composite shells on a model cell system (yeast) enhance the proliferation of living cells exposed to hostile protease-rich environments via the dissolution of the shells and release of a protease inhibitor (antitrypsin).Lei Gan, Miriam de J. Velásquez-Hernández, Anita Emmerstorfer-Augustin, Peter Wied, Heimo Wolinski, Simone Dal Zilio, Marcello Solomon, Weibin Liang, Christian Doonan, and Paolo Falcar
Measurement of Rapidity Distribution for High Mass Drell-Yan ee Pairs at CDF
We report on the first measurement of the rapidity distribution dsigma/dy
over nearly the entire kinematic region of rapidity for e^+e^- pairs in the
Z-boson region of 66116 GeV/c^2.
The data sample consists of 108 pb^{-1} of ppbar collisions at \sqrt{s}=1.8 TeV
taken by the Collider Detector at Fermilab during 1992--1995. The total cross
section in the -boson region is measured to be 252 +- 11 pb. The measured
total cross section and d\sigma/dy are compared with quantum chromodynamics
calculations in leading and higher orders.Comment: 7 pages, 3 figures. Submitted to Physical Review Letter
Search for the Supersymmetric Partner of the Top-Quark in Collisions at
We report on a search for the supersymmetric partner of the top quark (stop)
produced in events using of
collisions at recorded with the Collider Detector at
Fermilab. In the case of a light stop squark, the decay of the top quark into
stop plus the lightest supersymmetric particle (LSP) could have a significant
branching ratio. The observed events are consistent with Standard Model production and decay. Hence, we set limits on the branching ratio of
the top quark decaying into stop plus LSP, excluding branching ratios above 45%
for a LSP mass up to 40 {\rm GeV/c}.Comment: 11 pages, 4 figure
Measurement of the p\bar{p}\sqrt{s}$ = 1.8 TeV
We update the measurement of the top production cross section using the CDF
detector at the Fermilab Tevatron. This measurement uses decays to
the final states +jets and +jets. We search for quarks from
decays via secondary-vertex identification or the identification of
semileptonic decays of the and cascade quarks. The background to the
production is determined primarily through a Monte Carlo simulation.
However, we calibrate the simulation and evaluate its uncertainty using several
independent data samples. For a top mass of 175 , we measure
pb and pb using
the secondary vertex and the lepton tagging algorithms, respectively. Finally,
we combine these results with those from other decay channels and
obtain pb.Comment: The manuscript consists of 130 pages, 35 figures and 42 tables in
RevTex. The manuscript is submitted to Physical Review D. Fixed typo in
author lis
A Study of B0 -> J/psi K(*)0 pi+ pi- Decays with the Collider Detector at Fermilab
We report a study of the decays B0 -> J/psi K(*)0 pi+ pi-, which involve the
creation of a u u-bar or d d-bar quark pair in addition to a b-bar -> c-bar(c
s-bar) decay. The data sample consists of 110 1/pb of p p-bar collisions at
sqrt{s} = 1.8 TeV collected by the CDF detector at the Fermilab Tevatron
collider during 1992-1995. We measure the branching ratios to be BR(B0 -> J/psi
K*0 pi+ pi-) = (8.0 +- 2.2 +- 1.5) * 10^{-4} and BR(B0 -> J/psi K0 pi+ pi-) =
(1.1 +- 0.4 +- 0.2) * 10^{-3}. Contributions to these decays are seen from
psi(2S) K(*)0, J/psi K0 rho0, J/psi K*+ pi-, and J/psi K1(1270)
Measurement of J/Psi and Psi(2S) Polarization in ppbar Collisions at sqrt(s) = 1.8 TeV
We have measured the polarization of J/Psi and Psi(2S) mesons produced in
p\bar{p} collisions at \sqrt{s} = 1.8 TeV, using data collected at CDF during
1992-95.
The polarization of promptly produced J/Psi [Psi(2S)] mesons is isolated from
those produced in B-hadron decay, and measured over the kinematic range 4[5.5]
< P_T < 20 GeV/c and |y| < 0.6. For P_T \gessim 12 GeV/c we do not observe
significant polarization in the prompt component.Comment: Revised version, accepted for publication in Physical Review Letter
Search for Narrow Diphoton Resonances and for gamma-gamma+W/Z Signatures in p\bar p Collisions at sqrt(s)=1.8 TeV
We present results of searches for diphoton resonances produced both
inclusively and also in association with a vector boson (W or Z) using 100
pb^{-1} of p\bar p collisions using the CDF detector. We set upper limits on
the product of cross section times branching ratio for both p\bar
p\to\gamma\gamma + X and p\bar p\to\gamma\gamma + W/Z. Comparing the inclusive
production to the expectations from heavy sgoldstinos we derive limits on the
supersymmetry-breaking scale sqrt{F} in the TeV range, depending on the
sgoldstino mass and the choice of other parameters. Also, using a NLO
prediction for the associated production of a Higgs boson with a W or Z boson,
we set an upper limit on the branching ratio for H\to\gamma\gamma. Finally, we
set a lower limit on the mass of a `bosophilic' Higgs boson (e.g. one which
couples only to \gamma, W, and Z$ bosons with standard model couplings) of 82
GeV/c^2 at 95% confidence level.Comment: 30 pages, 11 figure
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