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At least 127 records · Page 7

The lowest ionization potentials of Al2

Potential curves for the lowest two electronic states (X 2 sigma g + and A 2 pi u) of Al2(+) were computed using complete active space SCF/multireference CI wave functions and large Gaussian basis sets. The lowest observable vertical ionization potential (to Al2(+) X 2 sigma g +) of the Al2 X 3 pi u ground state is calculated to occur around 6.1 eV, in excellent agreement with the experimental range of 6.0 to 6.42 eV obtained in recent cluster ionization studies by Cox and co-workers. The second vertical ionization potential (to Al2(+) A 2 pi u) occurs near 6.4 eV, also within the experimental range. The adiabatic IP of 5.90 eV is in good agreement with the value of 5.8 to 6.1 eV deduced by Hanley and co-workers from the difference in thresholds between collision induced dissociation processes of Al3(+). The computed IP values are somewhat larger than those deduced from branching ratios in cluster fragmentation experiments by Jarrold and co-workers. The observation of an ionization threshold below 6.42 eV is shown to be incompatible with an Al2 ground electronic state assignment of 3 sigma g -, but the separation between the two lowest states of Al2 is so small that it is likely that both are populated in the experiments, so that this does not provide unambiguous support for the recent theoretical assignment of the ground state as 3 pi u.

Bauschlicher, Charles W., Jr.↗

Localization effects in radiationally disordered high-temperature superconductors: Theoretical interpretation

Theoretical interpretation of recent experiments on radiationally disordered high-temperature superconductors is presented, based on the concepts of mutual interplay of Anderson localization and superconductivity. Microscopic derivation of Ginzburg-Landau coefficients for the quasi-two-dimensional system in the vicinity of localization transition is given in the framework of the self-consistent theory of localization. The 'minimal metallic conductivity' for the quasi-two-dimensional case is enhanced due to a small overlap of electronic states on the nearest neighbor conducting planes. This leads to a stronger influence of localization effects than in ordinary (three-dimensional) superconductors. From this point of view even the initial samples of high-temperature superconductors are already very close to Anderson transition. Anomalies of H(c2) are also analyzed, explaining the upward curvature of H(c2)(T) and apparent independence of dH(c2)/dT (T = T(sub c)) on the degree of disorder as due to localization effects. Researchers discuss the possible reasons of fast T(sub c) degradation due to the enhanced Coulomb effects caused by the disorder induced decrease of localization length. The appearance and growth of localized magnetic moments is also discussed. The disorder dependence of localization length calculated from the experimental data on conductivity correlates reasonably with the theoretical criterion for suppression of superconductivity in the system with localized electronic states.

Goshchitskii, B. N.↗

Improved solid state electron-charge-storage device

Storage device is applicable in memory systems and in high-resolution arrays for light-responsive image sensing. The device offers high yield in multiple arrays and allows charge release with light striking only the edge of a metal electrode.

Kuper, A. B.↗

Solid state microwave electronics

The research for improving the resolution and stability in the CEC 21-110 double-focusing mass spectrometer is reported. The types of experiments beyond the performance capability of the present instrument are given, and a control system that introduces changes in the magnetic field to maintain the position of a given mass peak is described for stabilizing the instrument.

Penfield, P. L., Jr.↗

Interstellar molecular hydrogen toward zeta Puppis

This paper reports the measurement of some 136 interstellar H2 absorption lines found in a continuous scan of the far-ultraviolet spectrum of zeta Pup at 0.05-A resolution with the Copernicus telescope. Absorptions from only the rotational levels 0 to 5 of the lowest vibrational state of the ground electronic state were observed. The total H2 column density is 2.8 by 10 to the 14th power molecules/sq cm; the ratio of H nuclei in H2 to the number in H I plus molecules is 6 by 10 to the -6th power; the population of the rotational levels can be represented by a single excitation temperature of 1120 (plus or minus 80) K. The radial velocities of all rotational levels were the same within 7 km/s and differed from most atoms and first ions by no more than 4.5 km/s on the average. The tables also list the best available data on wavelengths, oscillator strengths, and radiative damping constants for all the H2 lines with zero vibrational level likely to be observed in the interstellar gas.

Morton, D. C.↗

Studies of molecular nitrogen bands from airborne auroral spectroscopy

Absolute auroral emission rates of several bands of the 1 PG (first positive), 2 PG, and Vegard-Kaplan systems of N2 and of the 1 NG (first negative) system of N2(+) were obtained from simultaneous spectral scans of two Ebert spectrophotometers mounted on board the NASA CV 990 aircraft. Analysis of these bands emitted during a 2-min auroral event leads to some conclusions regarding the excitation mechanisms of the C(3)Pi, B(3)Pi, and A(3)Sigma levels: the v' = 0 to v' = 3 levels of the C(3)Pi electronic state are populated by electron impact; the cross sections predict absolute emission rates that are in good agreement with the observations. Cross sections for excitation of the v' = 4 to v' = 8 levels, derived from laboratory measurement of the optical excitation functions, predict well the 1 PG bands observed in the auroral event.

Rees, M. H.↗

Near-infrared H2 emission from Herbig-Haro objects. I - A survey of low excitation objects

A survey for H2 1-0 S(1) emission in 16 Herbig-Haro (HH) objects and three exciting stars for HH objects is reported. Eleven HH objects which show low-excitation optical spectra exhibit H2 emission. One object (HH 43) is more than twice as bright as any previously reported HH object. In addition, spectra in the range 1.6-2.55 microns are reported for HH 43 and HH 120, and a 2.0-2.55 micron spectrum is presented for HH 26. The spectra yield estimates of the H2 density and temperature ranges in these objects. The role of ultraviolet H2 emission-line fluorescence in HH 43 with respect to cascading among excited vibrational states of the ground electronic state is discussed. Models which may account for the combined ultraviolet, optical, and near-IR spectra of HHs are briefly analyzed.

Schwartz, Richard D.↗

A Doubles Correction to Electronic Excited States from Configuration Interaction in the Space of Single Substitutions

A perturbative correction to the method of configuration interaction with single substitutions (CIS) is presented. This CIS(D) correction approximately introduces the effect of double substitutions which are absent in CIS excited states. CIS(D) is a second-order perturbation expansion of the coupled-cluster excited state method, restricted to single and double substitutions, in a series in which CIS is zeroth order, and the first-order correction vanishes. CIS (D) excitation energies are size consistent and the calculational complexity scales with the fifth power of molecular size, akin to second-order Moller-Plesset theory for the ground state. Calculations on singlet excited states of ethylene, formaldehyde, acetaldehyde, butadiene and benzene show that CIS (D) is a uniform improvement over CIS. CIS(D) appears to be a promising method for examining excited states of large molecules, where more accurate methods are not feasible.

Head-Gordon, Martin↗

Rocket-Plume Spectroscopy Simulation for Hydrocarbon-Fueled Rocket Engines

The UV-Vis spectroscopic system for plume diagnostics monitors rocket engine health by using several analytical tools developed at Stennis Space Center (SSC), including the rocket plume spectroscopy simulation code (RPSSC), to identify and quantify the alloys from the metallic elements observed in engine plumes. Because the hydrocarbon-fueled rocket engine is likely to contain C2, CO, CH, CN, and NO in addition to OH and H2O, the relevant electronic bands of these molecules in the spectral range of 300 to 850 nm in the RPSSC have been included. SSC incorporated several enhancements and modifications to the original line-by-line spectral simulation computer program implemented for plume spectral data analysis and quantification in 1994. These changes made the program applicable to the Space Shuttle Main Engine (SSME) and the Diagnostic Testbed Facility Thruster (DTFT) exhaust plume spectral data. Modifications included updating the molecular and spectral parameters for OH, adding spectral parameter input files optimized for the 10 elements of interest in the spectral range from 320 to 430 nm and linking the output to graphing and analysis packages. Additionally, the ability to handle the non-uniform wavelength interval at which the spectral computations are made was added. This allowed a precise superposition of wavelengths at which the spectral measurements have been made with the wavelengths at which the spectral computations are done by using the line-by-line (LBL) code. To account for hydrocarbon combustion products in the plume, which might interfere with detection and quantification of metallic elements in the spectral region of 300 to 850 nm, the spectroscopic code has been enhanced to include the carbon-based combustion species of C2, CO, and CH. In addition, CN and NO have spectral bands in 300 to 850 nm and, while these molecules are not direct products of hydrocarbon-oxygen combustion systems, they can show up if nitrogen or a nitrogen compound is present as an impurity in the propellants and/or these can form in the boundary layer as a result of interaction of the hot plume with the atmosphere during the ground testing of engines. Ten additional electronic band systems of these five molecules have been included into the code. A comprehensive literature search was conducted to obtain the most accurate values for the molecular and the spectral parameters, including Franck-Cordon factors and electronic transition moments for all ten band systems. For each elemental transition in the RPSSC, six spectral parameters - Doppler broadened line width at half-height, pressure-broadened line width at half-height, electronic multiplicity of the upper state, electronic term energy of the upper state, Einstein transition probability coefficient, and the atomic line center - are required. Input files have been created for ten elements of Ni, Fe, Cr, Co, Cu, Ca, Mn, Al, Ag, and Pd, which retain only relatively moderate to strong transitions in 300 to 430 nm spectral range for each element. The number of transitions in the input files is 68 for Ni; 148 for Fe; 6 for Cr; 87 for Co; 1 for Ca; 3 for Mn; 2 each for Cu, Al, and Ag; and 11 for Pd.

Tejwani, Gopal D.↗

Determination of electron temperature in a Penning discharge by the helium line ratio method

The helium spectral line intensity ratio technique utilizes the difference in electron energy dependences of the ground state electron impact excitation cross sections of the singlet and triplet series of neutral helium and the excited states of helium ions to determine the electron temperatures in a toroidal steady-state Penning discharge operating in helium. By varying the Penning discharge anode voltage and background pressure over a range of 2.5 to 28 kV and 0.00005 to 0.0001 torr, respectively, it was possible to make a comparison of the electron temperature as measured from various possible line ratios over a wide range of temperatures (10 to 100+ eV) under reproducible steady-state conditions.

Richardson, R. W.↗

Metastable oxygen emission bands

Recombination of ground-state oxygen atoms populates six different bound electronic states of molecular oxygen. Of the six optical transitions expected between the three upper states at 4 to 4.5 electron volts and the two lowest states, five have been observed in the afterglow of a conventional helium-oxygen microwave discharge in both (O-16)2 and (O-18)2, three of them for the first time in gas-phase spectra. Generation of these emissions from oxygen atoms in a system free of molecular oxygen establishes that atom recombination is the production mechanism.

Slanger, T. G.↗

Excimer laser produced plasmas in copper wire targets and water droplets

Elastically scattered incident radiation (ESIR) from a copper wire target illuminated by a KrF laser pulse at lambda = 248 nm shows a dinstinct two-peak structure which is dependent on the incident energy. The time required to reach the critical electron density (n(sub c) approximately = 1.8 x 10(exp 22) electrons/cu cm) is estimated at 11 ns based on experimental results. Detailed ESIR characteristics for water have been reported previously by the authors. Initiation of the broadband emission for copper plasma begins at 6.5 +/- 1.45 ns after the arrival of the laser pulse. However, the broadband emission occurs at 11 +/- 0.36 ns for water. For a diatomic substance such as water, the electron energy rapidly dissipates due to dissociation of water molecules, which is absent in a monatomic species such as copper. When the energy falls below the excitation energy of the lowest electron state for water, it becomes a subexcitation electron. Lifetimes of the subexcited electrons to the vibrational states are estimated to be of the order of 10(exp -9) s. In addition, the ionization potential of copper (440-530 nm) is approximately 6 eV, which is about two times smaller than the 13 eV ionization potential reported for water. The higher ionization potential contributes to the longer observed delay time for plasma formation in water. After initiation, a longer time is required for copper plasma to reach its peak value. This time delay in reaching the maximum intensity is attributed to the energy loss during the interband transition in copper.

Song, Kyo-Dong↗