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

Measured electron contribution to Shuttle plasma environment: Abbreviated update

The differential energy spectra of electrons between 1 and 100 eV were measured by an electron spectrometer flown on an early shuttle. This energy range was scanned in 64 incremental steps with a resolution of 7%. The most striking feature that was observed throughout these spectra was a relatively flat distribution of the higher energy electrons out to 100 eV. This is in contrast to normal ambient spectra which consistently show a rapid decline in quantitative flux beyond 50 to 55 eV. The lower energy (1 to 2 eV) end of these spectra showed steep thermal trails comparable to normal ambient spectral structure. In general, daytime fluxes were significantly higher than those obtained during nighttime measurements. Quantitative flux excursions which may possibly be associated with thruster firing were frequently observed. Spectral structure suggestive of the N2 vibrational excitation energy loss mechanism was also seen in the data from some measurement periods. Examples of these spectra are shown and possible correlations are discussed

GRBlog: A Database for Gamma-Ray Bursts

GRBlog is an on-line database providing researchers with quick access to all information reported in the GCN Circulars. Users of the GRBlog web site (grad40.as.utexas.edu/grblog.php) can search the circulars and produce afterglow light curve plots, or compile data tables. The site also offers advanced search capabilities to aide in statistical studies or comparative research. Most of the GCNs have already been entered into the GRBlog database, with the remainder to follow shortly.Comment: 4 pages, 2 figures. Proceedings for the 2003 GRB Conference (Santa Fe, NM, 2003 Sep 8-12

The X-ray Spectrum of the z=6.30 QSO SDSS J1030+0524

We present a deep XMM-Newton observation of the z=6.30 QSO SDSS J1030+0524, the second most distant quasar currently known. The data contain sufficient counts for spectral analysis, demonstrating the ability of XMM-Newton to measure X-ray spectral shapes of z~6 QSOs with integration times >100ks. The X-ray spectrum is well fit by a power law with index Gamma=2.12 +/- 0.11, an optical-X-ray spectral slope of a_{ox}=-1.80, and no absorption excess to the Galactic value, though our data are also consistent with a power law index in the range 2.02 < Gamma < 2.5 and excess absorption in the range 0 < N_H(cm^-2) < 8x10^22. There is also a possible detection (2 sigma) of FeKa emission. The X-ray properties of this QSO are, overall, similar to those of lower-redshift radio-quiet QSOs. This is consistent with the statement that the X-ray properties of radio-quiet QSOs show no evolution over 0<z<6.3. Combined with previous results, this QSO appears indistinguishable in any way from lower redshift QSOs, indicating that QSOs comparable to those seen locally existed less than one Gyr after the Big Bang.Comment: ApJ Letters, accepte

Reflex responses from the main pulmonary artery and bifurcation in anaesthetised dogs

This study was undertaken to determine the reflex cardiovascular and respiratory responses to discrete stimulation of pulmonary arterial baroreceptors using a preparation in which secondary modulation of responses from other reflexes was prevented. Dogs were anaesthetised with [alpha]-chloralose, artificially ventilated, the chests widely opened and a cardiopulmonary bypass established. The main pulmonary arterial trunk, bifurcation and extrapulmonary arteries as far as the first lobar arteries on each side were vascularly isolated and perfused through the left pulmonary artery and drained via the right artery through a Starling resistance which controlled pulmonary arterial pressure. Pressures distending systemic baroreceptors and reflexogenic regions in the heart were controlled. Reflex vascular responses were assessed from changes in perfusion pressures to a vascularly isolated hind limb and to the remainder of the subdiaphragmatic systemic circulation, both of which were perfused at constant flows. Respiratory responses were assessed from recordings of efferent phrenic nerve activity. Increases in pulmonary arterial pressure consistently evoked increases in both perfusion pressures and in phrenic nerve activity. Both vascular and respiratory responses were obtained when pulmonary arterial pressure was increased to above about 30 mmHg. Responses increased at higher levels of pulmonary arterial pressures. In 13 dogs increases in pulmonary arterial pressure to 45 mmHg increased systemic perfusion pressure by 24 ± 7 mmHg (mean ± S.E.M.) from 162 ± 11 mmHg. Setting carotid sinus pressure at different levels did not influence the vascular response to changes in pulmonary arterial pressure. The presence of a negative intrathoracic pressure of -20 mmHg resulted in larger vascular responses being obtained at lower levels of pulmonary arterial pressure. This indicates that the reflex may be more effective in the intact closed-chest animal. These results demonstrate that stimulation of pulmonary arterial baroreceptors evokes a pressor reflex and augments respiratory drive. This reflex is likely to be elicited in circumstances where pulmonary arterial pressure increases and the negative excursions of intrathoracic pressure become greater. They are likely, therefore, to be involved in the cardio-respiratory response to exercise as well as in pathological states such as pulmonary hypertension or restrictive or obstructive lung disease

Absence of reflex vascular responses from the intrapulmonary circulation in anaesthetised dogs

The aim of this investigation was to determine whether reflex cardiovascular responses were obtained to localised distension of the intrapulmonary arterial and venous circulations in a preparation in which the stimuli to other major reflexogenic areas were controlled and the lung was shown to possess reflex activity. Dogs were anaesthetised with [alpha]-chloralose, artificially ventilated, the chests widely opened and a cardiopulmonary bypass established. The intrapulmonary region of the left lung was isolated and perfused through the left pulmonary artery and drained through cannulae in the left pulmonary veins via a Starling resistance. Intrapulmonary arterial and venous pressures were controlled by the rate of inflow of blood and the pressure applied to the Starling resistance. Pressures to the carotid, aortic and coronary baroreceptors and heart chambers were controlled. Responses of vascular resistance were assessed from changes in perfusion pressures to a vascularly isolated hind limb and to the remainder of the subdiaphragmatic circulation (flows constant). The reactivity of the preparation was demonstrated by observing decreases in vascular resistance to large step changes in carotid sinus pressure (systemic vascular resistance decreased by -40 ± 5 %), chemical stimulation of lung receptors by injection into the pulmonary circulation of veratridine or capsaicin (resistance decreased by -32 ± 4 %) and, in the four dogs tested, increasing pulmonary stroke volume to 450 ml (resistance decreased by -24 ± 6 %). However, despite this evidence that the lung was innervated, increases in intrapulmonary arterial pressure from 14 ± 1 to 43 ± 3 mmHg or in intrapulmonary venous pressure from 5 ± 2 to 34 ± 2 mmHg or both did not result in any consistent changes in systemic or limb vascular resistances. In two animals tested, however, there were marked decreases in efferent phrenic nerve activity. These results indicate that increases in pressure confined to the intrapulmonary arterial and venous circulations do not cause consistent reflex vascular responses, even though the preparation was shown to be reflexly active and the lung was shown to be innervated