534 research outputs found
Negative ion stability calculations Final report
Metastability calculations of energy states of nitrogen negative io
REACTION PATH HAMILTONIAN: TUNNELING EFFECTS IN THE UNIMOLECULAR ISOMERIZATION HNC u> HCN
The reaction path Hamiltonian model recently formulated by Miller, Handy, and Adams [J, Chern. Phys. 72, 99 (1980)] is applied to the unimolecular isomerization HNC {yields} HCN. The reaction path, and the energy and force constant matrix along it, are calculated at the SCF level with a large basis set ("double zeta plus polarization"), and the microcanonical rate constant k(E) is computed in the energy range near and below the classical threshold of the reaction, It is seen, for example, that rates as fast as 10{sup 5} sec{sup -1} can occur at energies ~ 8 kcal/mole below the classical threshold
Radiative decay lifetimes of CH<sup> - </sup><sub>2</sub>
Recently the presence and radiative decay of vibrationally excited CH - 2, generated in a hot cathode discharge of methane, was established by measuring the time dependent photodetachment from excited states of CH - 2 as it radiatively relaxed in a high vacuum ion trap. The time dependence of the photodetachment was found to be consistent with an electron affinity of 5250 cm^−1 (0.65 eV) for ground state X-tilde 3B1 methylene. The radiative decay lifetimes of the first three excited bending vibrations of CH - 2 were also tentatively assigned. Here, we report a more refined analysis of the experimental data along with theoretical ab initio determinations of the radiative decay lifetimes of the first four excited bending vibrational levels of CH - 2. There is some discrepancy between the ab initio values (431, 207, 118, and 68 ms for the v2=1, 2, 3, and 4 levels respectively) and the experimental values (525, 70, and 14 ms for v2=1, 2, and 3 respectively) for v2=2 and 3. Possible reasons for this discrepancy are discussed but none of the alternatives are entirely satisfactory
Structural Phase Transition at High Temperatures in Solid Molecular Hydrogen and Deuterium
We study the effect of temperature up to 1000K on the structure of dense
molecular para-hydrogen and ortho-deuterium, using the path-integral Monte
Carlo method. We find a structural phase transition from orientationally
disordered hexagonal close packed (hcp) to an orthorhombic structure of Cmca
symmetry before melting. The transition is basically induced by thermal
fluctuations, but quantum fluctuations of protons (deuterons) are important in
determining the transition temperature through effectively hardening the
intermolecular interaction. We estimate the phase line between hcp and Cmca
phases as well as the melting line of the Cmca solid.Comment: 8 pages, 7 figures; accepted in Phys. Rev.
Regularity Properties and Pathologies of Position-Space Renormalization-Group Transformations
We reconsider the conceptual foundations of the renormalization-group (RG)
formalism, and prove some rigorous theorems on the regularity properties and
possible pathologies of the RG map. Regarding regularity, we show that the RG
map, defined on a suitable space of interactions (= formal Hamiltonians), is
always single-valued and Lipschitz continuous on its domain of definition. This
rules out a recently proposed scenario for the RG description of first-order
phase transitions. On the pathological side, we make rigorous some arguments of
Griffiths, Pearce and Israel, and prove in several cases that the renormalized
measure is not a Gibbs measure for any reasonable interaction. This means that
the RG map is ill-defined, and that the conventional RG description of
first-order phase transitions is not universally valid. For decimation or
Kadanoff transformations applied to the Ising model in dimension ,
these pathologies occur in a full neighborhood of the low-temperature part of the first-order
phase-transition surface. For block-averaging transformations applied to the
Ising model in dimension , the pathologies occur at low temperatures
for arbitrary magnetic-field strength. Pathologies may also occur in the
critical region for Ising models in dimension . We discuss in detail
the distinction between Gibbsian and non-Gibbsian measures, and give a rather
complete catalogue of the known examples. Finally, we discuss the heuristic and
numerical evidence on RG pathologies in the light of our rigorous theorems.Comment: 273 pages including 14 figures, Postscript, See also
ftp.scri.fsu.edu:hep-lat/papers/9210/9210032.ps.
Applicability of T1-weighted MRI in the assessment of forensic age based on the epiphyseal closure of the humeral head
This work investigates the value of magnetic resonance imaging analysis of proximal epiphyseal fusion in research examining the growth and development of the humerus and its potential utility in establishing forensic age estimation. In this study, 428 proximal humeral epiphyses (patient age, 12-30years) were evaluated with T1-weighted turbo spin echo (T1 TSE) sequences in coronal oblique orientation on shoulder MRI images. A scoring system was created following a combination of the Schmeling and Kellinghaus methods. Spearman's rank correlation analysis revealed a significant positive relationship between age and ossification stage of the proximal humeral epiphysis (all subjects: rho=0.664, p<0.001; males: 0.631, p<0.001; females: rho=0.651, p<0.001). The intra- and inter-observer reliability assessed using Cohen's kappa statistic was =0.898 and =0.828, respectively. The earliest age of epiphysis closure was 17years for females and 18years for males. MRI of the proximal humeral epiphysis can be considered advantageous for forensic age estimation of living individuals in a variety of situations, ranging from monitoring public health to estimating the age of illegal immigrants/asylum seekers, minors engaged in criminal activities, and illegal participants in competitive sports, without the danger of radiation exposure
Measurement of the Z/gamma* + b-jet cross section in pp collisions at 7 TeV
The production of b jets in association with a Z/gamma* boson is studied
using proton-proton collisions delivered by the LHC at a centre-of-mass energy
of 7 TeV and recorded by the CMS detector. The inclusive cross section for
Z/gamma* + b-jet production is measured in a sample corresponding to an
integrated luminosity of 2.2 inverse femtobarns. The Z/gamma* + b-jet cross
section with Z/gamma* to ll (where ll = ee or mu mu) for events with the
invariant mass 60 < M(ll) < 120 GeV, at least one b jet at the hadron level
with pT > 25 GeV and abs(eta) < 2.1, and a separation between the leptons and
the jets of Delta R > 0.5 is found to be 5.84 +/- 0.08 (stat.) +/- 0.72 (syst.)
+(0.25)/-(0.55) (theory) pb. The kinematic properties of the events are also
studied and found to be in agreement with the predictions made by the MadGraph
event generator with the parton shower and the hadronisation performed by
PYTHIA.Comment: Submitted to the Journal of High Energy Physic
Search for supersymmetry in events with b-quark jets and missing transverse energy in pp collisions at 7 TeV
Results are presented from a search for physics beyond the standard model
based on events with large missing transverse energy, at least three jets, and
at least one, two, or three b-quark jets. The study is performed using a sample
of proton-proton collision data collected at sqrt(s) = 7 TeV with the CMS
detector at the LHC in 2011. The integrated luminosity of the sample is 4.98
inverse femtobarns. The observed number of events is found to be consistent
with the standard model expectation, which is evaluated using control samples
in the data. The results are used to constrain cross sections for the
production of supersymmetric particles decaying to b-quark-enriched final
states in the context of simplified model spectra.Comment: Submitted to Physical Review
Azimuthal anisotropy of charged particles at high transverse momenta in PbPb collisions at sqrt(s[NN]) = 2.76 TeV
The azimuthal anisotropy of charged particles in PbPb collisions at
nucleon-nucleon center-of-mass energy of 2.76 TeV is measured with the CMS
detector at the LHC over an extended transverse momentum (pt) range up to
approximately 60 GeV. The data cover both the low-pt region associated with
hydrodynamic flow phenomena and the high-pt region where the anisotropies may
reflect the path-length dependence of parton energy loss in the created medium.
The anisotropy parameter (v2) of the particles is extracted by correlating
charged tracks with respect to the event-plane reconstructed by using the
energy deposited in forward-angle calorimeters. For the six bins of collision
centrality studied, spanning the range of 0-60% most-central events, the
observed v2 values are found to first increase with pt, reaching a maximum
around pt = 3 GeV, and then to gradually decrease to almost zero, with the
decline persisting up to at least pt = 40 GeV over the full centrality range
measured.Comment: Replaced with published version. Added journal reference and DO
Search for new physics with same-sign isolated dilepton events with jets and missing transverse energy
A search for new physics is performed in events with two same-sign isolated
leptons, hadronic jets, and missing transverse energy in the final state. The
analysis is based on a data sample corresponding to an integrated luminosity of
4.98 inverse femtobarns produced in pp collisions at a center-of-mass energy of
7 TeV collected by the CMS experiment at the LHC. This constitutes a factor of
140 increase in integrated luminosity over previously published results. The
observed yields agree with the standard model predictions and thus no evidence
for new physics is found. The observations are used to set upper limits on
possible new physics contributions and to constrain supersymmetric models. To
facilitate the interpretation of the data in a broader range of new physics
scenarios, information on the event selection, detector response, and
efficiencies is provided.Comment: Published in Physical Review Letter
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