Explicit correlation and basis set superposition error: The structure and energy of carbon dioxide dimer

We have investigated the slipped parallel and t-shaped structures of carbon dioxide dimer [(CO₂)₂] using both conventional and explicitly correlated coupled cluster methods, inclusive and exclusive of counterpoise (CP) correction. We have determined the geometry of both structures with conventional coupled cluster singles doubles and perturbative triples theory [CCSD(T)] and explicitly correlated cluster singles doubles and perturbative triples theory [CCSD(T)-F12b] at the complete basis set (CBS) limits using custom optimization routines. Consistent with previous investigations, we find that the slipped parallel structure corresponds to the global minimum and is 1.09 kJ mol⁻¹ lower in energy. For a given cardinal number, the optimized geometries and interaction energies of (CO₂)₂ obtained with the explicitly correlated CCSD(T)-F12b method are closer to the CBS limit than the corresponding conventional CCSD(T) results. Furthermore, the magnitude of basis set superposition error (BSSE) in the CCSD(T)-F12b optimized geometries and interaction energies is appreciably smaller than the magnitude of BSSE in the conventional CCSD(T) results. We decompose the CCSD(T) and CCSD(T)-F12b interaction energies into the constituent HF or HF CABS, CCSD or CCSD-F12b, and (T) contributions. We find that the complementary auxiliary basis set (CABS) singles correction and the F12b approximation significantly reduce the magnitude of BSSE at the HF and CCSD levels of theory, respectively. For a given cardinal number, we find that non-CP corrected, unscaled triples CCSD(T)-F12b/VXZ-F12 interaction energies are in overall best agreement with the CBS limit

High sensitivity to mass-ratio variation in deep molecular potentials

Molecular vibrational transitions are prime candidates for model-independent searches for variation of the proton-to-electron mass ratio. Searches for present-day variation achieve highest sensitivity with deep molecular potentials. We identify several high-sensitivity transitions in the deeply bound ${\rm O}_2^+$ molecular ion. These transitions are electric-dipole forbidden and thus have narrow linewidths. The most sensitive transitions take advantage of an accidental degeneracy between vibrational states in different electronic potentials. We suggest experimentally feasible routes to a measurement with uncertainty exceeding current limits on present-day variation in $m_p/m_e$

Thermal and Non-thermal Plasmas in the Galaxy Cluster 3C 129

We describe new Chandra spectroscopy data of the cluster which harbors the prototypical "head tail" radio galaxy 3C 129 and the weaker radio galaxy 3C 129.1. We combined the Chandra data with Very Large Array (VLA) radio data taken at 0.33, 5, and 8 GHz (archival data) and 1.4 GHz (new data). We also obtained new HI observations at the Dominion Radio Astrophysical Observatory (DRAO) to measure the neutral Hydrogen column density in the direction of the cluster with arcminute angular resolution. The Chandra observation reveals extended X-ray emission from the radio galaxy 3C 129.1 with a total luminosity of 1.5E+41 erg/s. The X-ray excess is resolved into an extended central source of ~2 arcsec (1 kpc) diameter and several point sources with an individual luminosity up to 2.1E+40 erg/s. In the case of the radio galaxy 3C 129, the Chandra observation shows, in addition to core and jet X-ray emission reported in an earlier paper, some evidence for extended, diffuse X-ray emission from a region east of the radio core. The 12 arcsec x 36 arcsec (6 kpc x 17 kpc) region lies "in front" of the radio core, in the same direction into which the radio galaxy is moving. We use the radio and X-ray data to study in detail the pressure balance between the non-thermal radio plasma and the thermal Intra Cluster Medium (ICM) along the tail of 3C 129 which extends over 15 arcmin (427 kpc). Depending on the assumed lower energy cutoff of the electron energy spectrum, the minimum pressure of the radio plasma lies a factor of between 10 and 40 below the ICM pressure for a large part of the tail. We discuss several possibilities to explain the apparent pressure mismatch.Comment: Accepted for publication in MNRAS. Refereed manuscript. 14 pages, 8 figures, additional panel of Fig. 3 shows asymmetric ICM distributio

Oocyte cryopreservation as an adjunct to the assisted reproductive technologies

The document attached has been archived with permission from the editor of the Medical Journal of Australia. An external link to the publisher’s copy is included. See page 2 of PDF for this item.Keith L Harrison, Michelle T Lane, Jeremy C Osborn, Christine A Kirby, Regan Jeffrey, John H Esler and David Mollo

A unique facility for V/STOL aircraft hover testing

The Langley Impact Dynamics Research Facility (IDRF) was modified to obtain static force and moment data and to allow assessment of aircraft handling qualities during dynamic tethered hover flight. Test probe procedures were also established. Static lift and control measurements obtained are presented along with results of limited dynamic tethered hover flight

Effectiveness of slow motion video compared to real time video in improving the accuracy and consistency of subjective gait analysis in dogs

Objective measures of canine gait quality via force plates, pressure mats or kinematic analysis are considered superior to subjective gait assessment (SGA). Despite research demonstrating that SGA does not accurately detect subtle lameness, it remains the most commonly performed diagnostic test for detecting lameness in dogs. This is largely because the financial, temporal and spatial requirements for existing objective gait analysis equipment makes this technology impractical for use in general practice. The utility of slow motion video as a potential tool to augment SGA is currently untested. To evaluate a more accessible way to overcome the limitations of SGA, a slow motion video study was undertaken. Three experienced veterinarians reviewed video footage of 30 dogs, 15 with a diagnosis of primary limb lameness based on history and physical examination, and 15 with no indication of limb lameness based on history and physical examination. Four different videos were made for each dog, demonstrating each dog walking and trotting in real time, and then again walking and trotting in 50% slow motion. For each video, the veterinary raters assessed both the degree of lameness, and which limb(s) they felt represented the source of the lameness. Spearman’s rho, Cramer’s V, and t-tests were performed to determine if slow motion video increased either the accuracy or consistency of raters’ SGA relative to real time video. Raters demonstrated no significant increase in consistency or accuracy in their SGA of slow motion video relative to real time video. Based on these findings, slow motion video does not increase the consistency or accuracy of SGA values. Further research is required to determine if slow motion video will benefit SGA in other ways

Doppler cooling of gallium atoms: 2. Simulation in complex multilevel systems

This paper derives a general procedure for the numerical solution of the Lindblad equations that govern the coherences arising from multicoloured light interacting with a multilevel system. A systematic approach to finding the conservative and dissipative terms is derived and applied to the laser cooling of gallium. An improved numerical method is developed to solve the time-dependent master equation and results are presented for transient cooling processes. The method is significantly more robust, efficient and accurate than the standard method and can be applied to a broad range of atomic and molecular systems. Radiation pressure forces and the formation of dynamic dark-states are studied in the gallium isotope 66Ga.Comment: 15 pages, 8 figure

Direct radiative capture of p-wave neutrons

The neutron direct radiative capture (DRC) process is investigated, highlighting the role of incident p-wave neutrons. A set of calculations is shown for the 12-C(n,gamma) process at incoming neutron energies up to 500 keV, a crucial region for astrophysics. The cross section for neutron capture leading to loosely bound s, p and d orbits of 13-C is well reproduced by the DRC model demonstrating the feasibility of using this reaction channel to study the properties of nuclear wave functions on and outside the nuclear surface. A sensitivity analysis of the results on the neutron-nucleus interaction is performed for incident s- as well as p-waves. It turned out that the DRC cross section for p-wave neutrons is insensitive to this interaction, contrary to the case of incident s-wave neutrons. PACS number(s): 25.40Lw,21.10Gv,23.40.HcComment: 16 pages, REVTeX file, PostScript file, .dvi fil

Pseudo-Goldstone Boson Effects in Top-Antitop Productions at High Energy Hadron Colliders and Testing Technicolor Models

We study the top quark pair production process p+p(anti-p)-->top+antitop in various kinds of technicolor (TC) models at the Fermilab Tevatron Run II and the CERN LHC. The s-channel neutral pseudo-Goldstone bosons (PGB's) contribute dominately to the production amplitudes from its coupling to the gluons through the triangle loops of techniquarks and the top quark. Cross sections in different TC models with s-channel PGB contributions are calculated. It is shown that the PGB effects can be experimentally tested and different TC models under consideration can be distinguished at the LHC. Therefore, the p+p-->top+antitop process at the LHC provides feasible tests of the TC models.Comment: 10 pages in RevTex and 4 PS-files for the figures. Paramemter range is changed, and some references are added. Version for publication in Phys. Rev.