789 research outputs found
Turbulence measurements using the laser Doppler velocimeter
The photomultiplier signal representing the axial velocity of water within a glass pipe is examined. It is shown that with proper analysis of the photomultiplier signal, the turbulent information that can be obtained in liquid flows is equivalent to recent hot film studies. In shear flows the signal from the laser Doppler velocimeter contains additional information which may be related to the average shear
Distribution of E/N and N sub e in a cross-flow electric discharge laser
The spatial distribution of the ratio of electric field to neutral gas density on a flowing gas, multiple pin-to-plane discharge was measured in a high-power, closed loop laser. The laser was operated at a pressure of 140 torr (1:7:20, CO2, N2, He) with typically a 100 meter/second velocity in the 5 x 8 x 135 centimeter discharge volume. E/N ratios ranged from 2.7 x 10 to the minus 16th power to 1.4 x 10 to the minus 16th power volts/cu cm along the discharge while the electron density ranged from 2.8 x 10 to the 10th power to 1.2 x 10 to the 10th power cm/3
Small-signal gain diagnostic measurements in a flowing CO2 pin discharge laser
Small-signal gain diagnostic measurements were conducted on closed loop, high power, carbon dioxide laser to assess the coupling between gas flow velocity and resonator saturation. Parameters investigated included optical cavity and discharge power. Results of gain measurements within and downstream of the excitation volume are presented for a laser gas composition He:N2:CO2 of 10:7:1 at 90 torr. The gain at constant discharge power was observed to be dependent upon discharge power level and time. An important result of this study is that the effects of gain swept downstream of the discharge region must be considered in the resonator design if efficient extraction of stored optical energy is desired
Turbulent transport measurements with a laser Doppler velocimeter
The power spectrum of phototube current from a laser Doppler velocimeter operating in the heterodyne mode has been computed. The spectrum is obtained in terms of the space time correlation function of the fluid. The spectral width and shape predicted by the theory are in agreement with experiment. For normal operating parameters the time average spectrum contains information only for times shorter than the Lagrangian integral time scale of the turbulence. To examine the long time behavior, one must use either extremely small scattering angles, much longer wavelength radiation or a different mode of signal analysis, e.g., FM detection
Controlling the accuracy of the density matrix renormalization group method: The Dynamical Block State Selection approach
We have applied the momentum space version of the Density Matrix
Renormalization Group method (-DMRG) in quantum chemistry in order to study
the accuracy of the algorithm in the new context. We have shown numerically
that it is possible to determine the desired accuracy of the method in advance
of the calculations by dynamically controlling the truncation error and the
number of block states using a novel protocol which we dubbed Dynamical Block
State Selection (DBSS). The relationship between the real error and truncation
error has been studied as a function of the number of orbitals and the fraction
of filled orbitals. We have calculated the ground state of the molecules
CH, HO, and F as well as the first excited state of CH. Our
largest calculations were carried out with 57 orbitals, the largest number of
block states was 1500--2000, and the largest dimensions of the Hilbert space of
the superblock configuration was 800.000--1.200.000.Comment: 12 page
Electron correlations for ground state properties of group IV semiconductors
Valence energies for crystalline C, Si, Ge, and Sn with diamond structure
have been determined using an ab-initio approach based on information from
cluster calculations. Correlation contributions, in particular, have been
evaluated in the coupled electron pair approximation (CEPA), by means of
increments obtained for localized bond orbitals and for pairs and triples of
such bonds. Combining these results with corresponding Hartree-Fock (HF) data,
we recover about 95 % of the experimental cohesive energies. Lattice constants
are overestimated at the HF level by about 1.5 %; correlation effects reduce
these deviations to values which are within the error bounds of this method. A
similar behavior is found for the bulk modulus: the HF values which are
significantly too high are reduced by correlation effects to about 97 % of the
experimental values.Comment: 22 pages, latex, 2 figure
Electron affinities of the first- and second- row atoms: benchmark ab initio and density functional calculations
A benchmark ab initio and density functional (DFT) study has been carried out
on the electron affinities of the first- and second-row atoms. The ab initio
study involves basis sets of and quality, extrapolations to
the 1-particle basis set limit, and a combination of the CCSD(T), CCSDT, and
full CI electron correlation methods. Scalar relativistic and spin-orbit
coupling effects were taken into account. On average, the best ab initio
results agree to better than 0.001 eV with the most recent experimental
results. Correcting for imperfections in the CCSD(T) method improves the mean
absolute error by an order of magnitude, while for accurate results on the
second-row atoms inclusion of relativistic corrections is essential. The latter
are significantly overestimated at the SCF level; for accurate spin-orbit
splitting constants of second-row atoms inclusion of (2s,2p) correlation is
essential. In the DFT calculations it is found that results for the 1st-row
atoms are very sensitive to the exchange functional, while those for second-row
atoms are rather more sensitive to the correlation functional. While the LYP
correlation functional works best for first-row atoms, its PW91 counterpart
appears to be preferable for second-row atoms. Among ``pure DFT'' (nonhybrid)
functionals, G96PW91 (Gill 1996 exchange combined with Perdew-Wang 1991
correlation) puts in the best overall performance. The best results overall are
obtained with the 1-parameter hybrid modified Perdew-Wang (mPW1) exchange
functionals of Adamo and Barone [J. Chem. Phys. {\bf 108}, 664 (1998)], with
mPW1LYP yielding the best results for first-row, and mPW1PW91 for second-row
atoms. Indications exist that a hybrid of the type mPW1LYP +
mPW1PW91 yields better results than either of the constituent functionals.Comment: Phys. Rev. A, in press (revised version, review of issues concerning
DFT and electron affinities added
CD4 Deficit and Tuberculosis Risk Persist With Delayed Antiretroviral Therapy: 5-Year Data From CIPRA HT-001
SETTING: Port-au-Prince, Haiti. OBJECTIVE: To determine long-term effects of early vs. delayed initiation of antiretroviral therapy (ART) on immune recovery and tuberculosis (TB) risk in human immunodeficiency virus (HIV) infected individuals. DESIGN: Open-label randomized controlled trial of immediate ART in HIV-infected adults with CD4 counts between 200 and 350 cells/mm(3) vs. deferring ART until the CD4 count was \u3c200 cells/mm(3). The primary comparisons were CD4 counts over time and risk for incident TB, with 5 years of follow-up. RESULTS: A total of 816 participants were enrolled, with 408 in each treatment arm. The early treatment group started ART within 2 weeks, while the deferred treatment group started ART a median of 1.3 years after enrollment. After 5 years, the mean CD4 count in the early treatment group was significantly higher than in the deferred treatment group (496 cells/mm(3), 95% confidence interval [CI] 477-515 vs. 373 cells/mm(3), 95%CI 357-389; P \u3c 0.0001). TB risk was higher in the deferred treatment group (unadjusted HR 2.41, 95%CI 1.56-3.74; P \u3c 0.0001) and strongly correlated with lower CD4 counts in time-dependent multivariate analysis. CONCLUSION: Delays in ART initiation for HIV-infected adults with CD4 counts of 200-350 cells/mm(3) can result in long-term immune dysfunction and persistent increased risk for TB. TRIAL REGISTRATION: ClinicalTrials.gov NCT00120510
Electron attachment to valence-excited CO
The possibility of electron attachment to the valence state of CO
is examined using an {\it ab initio} bound-state multireference configuration
interaction approach. The resulting resonance has symmetry;
the higher vibrational levels of this resonance state coincide with, or are
nearly coincident with, levels of the parent state. Collisional
relaxation to the lowest vibrational levels in hot plasma situations might
yield the possibility of a long-lived CO state.Comment: Revtex file + postscript file for one figur
Proposal of an extended t-J Hamiltonian for high-Tc cuprates from ab initio calculations on embedded clusters
A series of accurate ab initio calculations on Cu_pO-q finite clusters,
properly embedded on the Madelung potential of the infinite lattice, have been
performed in order to determine the local effective interactions in the CuO_2
planes of La_{2-x}Sr_xCuO_4 compounds. The values of the first-neighbor
interactions, magnetic coupling (J_{NN}=125 meV) and hopping integral
(t_{NN}=-555 meV), have been confirmed. Important additional effects are
evidenced, concerning essentially the second-neighbor hopping integral
t_{NNN}=+110meV, the displacement of a singlet toward an adjacent colinear
hole, h_{SD}^{abc}=-80 meV, a non-negligible hole-hole repulsion
V_{NN}-V_{NNN}=0.8 eV and a strong anisotropic effect of the presence of an
adjacent hole on the values of the first-neighbor interactions. The dependence
of J_{NN} and t_{NN} on the position of neighbor hole(s) has been rationalized
from the two-band model and checked from a series of additional ab initio
calculations. An extended t-J model Hamiltonian has been proposed on the basis
of these results. It is argued that the here-proposed three-body effects may
play a role in the charge/spin separation observed in these compounds, that is,
in the formation and dynamic of stripes.Comment: 24 pages, 4 figures, submitted to Phys. Rev.
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