Improvement of uncoupled Hartree-Fock expectation values for physical properties
Hartree-Fock calculation method as zero-order approximation for determining atomic and molecular second-order properties
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Hartree-Fock calculation method as zero-order approximation for determining atomic and molecular second-order properties
We explore here the question of how cloud physics can be more directly probed when one observes the majority of cooling emissions from molecular gas. For this purpose we use results from a recent Spitzer Space Telescope study of the young cluster of embedded objects in NGC1333. For this study we mapped the emission from eight pure H2 rotational lines, from S(0) to S(7). The H2 emission appears to be associated with the warm gas shocked by the multiple outflows present in the region. The H2 lines are found to contribute to 25 - 50% of the total outflow luminosity, and can be used to more directly ascertain the importance of star formation feedback on the natal cloud. From these lines, we determine the outflow mass loss rate and, indirectly, the stellar infall rate, the outflow momentum and the kinetic energy injected into the cloud over the embedded phase. The latter is found to exceed the binding energy of individual cores, suggesting that outflows could be the main mechanism for cores disruption. Given the recent launch of Herschel and the upcoming operational lifetime of SOFIA we discuss how studies of molecular cooling can take a step beyond understanding thermal balance to exploring the origin, receipt, and transfer of energy in atomic and molecular gas in a wide range of physical situations.
Molecular elimination of hydrogen during methyl acetylene photolysis in vacuum ultraviolet
Quantum mechanical transport equation for atomic or molecular interactions with radiation and application to laser physics
Interstellar molecular hydrogen formation by physical adsorption on grains, determining H atoms adsorptive potentials on silicates, graphite, solid hydrogen and ice
The laser ablation/ion storage facility at the UNLV Physics Department has been dedicated to the study of atomic and molecular processes in low temperature plasmas. Our program focuses on the charge transfer (electron capture) of multiply charged ions and neutrals important in astrophysics. The electron transfer reactions with atoms and molecules is crucial to the ionization condition of neutral rich photoionized plasmas. With the successful deployment of the Far Ultraviolet Spectroscopic Explorer (FUSE) and the Chandra X-ray Observatory by NASA high resolution VUV and X-ray emission spectra fiom various astrophysical objects have been collected. These spectra will be analyzed to determine the source of the emission and the chemical and physical environment of the source. The proper interpretation of these spectra will require complete knowledge of all the atomic processes in these plasmas. In a neutral rich environment, charge transfer can be the dominant process. The rate coefficients need to be known accurately. We have also extended our charge transfer measurements to KeV region with a pulsed ion beam. The inclusion of this facility into our current program provides flexibility in extending the measurement to higher energies (KeV) if needed. This flexibility enables us to address issues of immediate interest to the astrophysical community as new observations are made by high resolution space based observatories.
Atomic physics of lasers and active materials, noting multiplet spectra of atoms, molecular specroscopy, energy level population distribution and amplification
The approaches of three computer flow field codes (HYVIS, COLTS, and RASLE), used to determine the Galileo Probe aerothermal environment and its effect on the design of the thermal protection system, are analyzed in order to resolve differences in their predicted results. All three codes account for the hypersonic, massively blown, radiation shock layers, characteristic of Jupiter entry. Significant differences, however, are evident in their solution procedures: the governing conservation equations, the numerical differencing methods, the governing physics (chemical, radiation, diffusion, and turbulence models), and the basic physical data (thermodynamic, transport, chemical, and spectral properties for atomic and molecular species). Solutions are compared for two near peak heating entry conditions for a Galileo Probe baseline configuration, having an initial mass of 242 kg and simulating entry into the Orton nominal atmosphere. The modern numerical methodology of COLTS and RASLE appear to provide an improved capability for coupled flow-field solutions.
The physical characteristics of the transition region separating the molecular and the atomic medium in interstellar clouds are studied using H I 21-cm and CO J = 1-0 data. Strong evidence is found for general heating of the surface layers of molecular clouds and for the existence of large heated neutral atomic halos around the molecular clouds. The heating of the molecular cloud surface is manifested through the general existence of limb brightening in the CO emission, with a characteristic depth of 1.7 pc, dependent on the Galactic latitude. The heated H I halos have a characteristic depth of 4.7 pc and a maximal extent of about 10 pc.
Data from test series in the Electric Arc Shock Tube Facility were previously reportedfor velocities spanning 6-12 km/s in pure N2 at a freestream pressure of 0.2 Torr. The testseries provided spectrally- and spatially-resolved data for validation of a number of modelsof physical phenomena, including vibrational relaxation, molecular radiation, nitrogendissociation and ionization, and atomic radiation and ionization. In the present workanalysis of data obtained at a nominal velocity of 10.3 km/s is discussed in detail. Spectraare analyzed to extract temperatures and the densities of excited states as a function ofposition behind the shock. The effect of different methods for calculating state populationsand ionization processes is assessed, as is a rigorous assessment of the atomic line lists, withboth missing and extra lines identified.
The goal of this Space Physics Educational Outreach project was to develop a laboratory experiment and classroom lecture on Earth's aurora for use in lower division college physics courses, with the particular aim of implementing the experiment and lecture at Saint Mary's College of California. The strategy is to teach physics in the context of an interesting natural phenomenon by investigating the physical principles that are important in Earth's aurora, including motion of charged particles in electric and magnetic fields, particle collisions and chemical reactions, and atomic and molecular spectroscopy. As a by-product, the undergraduate students would develop an appreciation for naturally occurring space physics phenomena.
Interstellar gas may be in a variety of thermal phases, depending on how it is heated and ionized; here a unified picture of the equation of state of interstellar and quasar gas is presented for a variety of such mechanisms over a broad range of temperatures, densities, and column densities of absorbing matter. It is found that for select ranges of gas pressure, photoionizing flux, and heating, three thermally stable phases are allowed: coronal gas (T above 100,000 K); warm gas (T about 10,000 K); and cold gas (T less than 100 K). With attenuation of ultraviolet and X-ray radiation, the cold phase may undergo a transition to molecules. In quasar broad-line clouds, this transition occurs at column density N(H) = about 10 to the 23rd/sq cm and could result in warm molecular cores and observable emission from H2 and OH. The underlying atomic physics behind each of these phase transitions and their relevance to interstellar matter and quasars are discussed.
The UV-IR solar spectrum is presented and discussed with a view to the comparative value of the data and their application in atomic or molecular spectroscopy and in solar, atmospheric, planetary, cometary, or stellar physics. Attention is given to intensity spectra, terrestrial atmospheric spectra, the 296-1300 nm Solar Flux Atlas of Kurucz et al. (1984), and line identifications.
A decomposition of the molecular energy is presented that is motivated by the atom superposition and electron delocalization physical model of chemical binding. The energy appears in physically transparent form consisting of a classical electrostatic interaction, a zero order two electron exchange interaction, a relaxation energy, and the atomic energies. Detailed formulae are derived in zero and first order of approximation. The formulation extends beyond first order to any chosen level of approximation leading, in principle, to the exact energy. The structure of this energy decomposition lends itself to the fullest utilization of the solutions to the atomic sub problems to simplify the calculation of the molecular energy. If nonlinear relaxation effects remain minor, the molecular energy calculation requires at most the calculation of two center, two electron integrals. This scheme thus affords the prospects of substantially reducing the computational effort required for the calculation of molecular energies.
A collection of 225 abstracts of radiation research sponsored by NASA during the period 1986 through 1990 is reported. Each abstract was categorized within one of four discipline areas: physics, biology, risk assessment, and microgravity. Topic areas within each discipline were assigned as follows: Physics - atomic physics, nuclear science, space radiation, radiation transport and shielding, and instrumentation; Biology - molecular biology, cellular radiation biology, tissue, organs and organisms, radioprotectants, and plants; Risk assessment - radiation health and epidemiology, space flight radiation health physics, inter- and intraspecies extrapolation, and radiation limits and standards; and Microgravity. When applicable subareas were assigned for selected topic areas. Keywords and author indices are provided.
Multi-fluid modelling of the outflowing gases which sublimate from cometary nuclei as they approach the Sun is necessary for understanding the important physical and chemical processes occurring in this complex plasma. Coma chemistry models can be employed to interpret observational data and to ultimately determine chemical composition and structure of the nuclear ices and dust. We describe a combined chemical and hydrodynamical model [1] in which differential equations for the chemical abundances and the energy balance are solved as a function of distance from the cometary nucleus. The presence of negative ions (anions) in cometary comae is known from Giotto mass spectrometry of 1P/Halley. The anions O(-), OH(-), C(-), CH(-) and CN(-) have been detected, as well as unidentified anions with masses 22-65 and 85-110 amu [2]. Organic molecular anions such as C4H(-) and C6H(-) are known to have a significant impact on the charge balance of interstellar clouds and circumstellar envelopes and have been shown to act as catalysts for the gas-phase synthesis of larger hydrocarbon molecules in the ISM, but their importance in cometary comae has not yet been fully explored. We present details of new models for the chemistry of cometary comae that include atomic and molecular anions and calculate the impact of these anions on the coma physics and chemistry af the coma.
This paper outlines the necessity for the availability, accessibility, and expansion of atomic physics data and analysis tools for the meaningful interpretation of spectroscopic and polarimetric observations. As we move towards observing the Sun at higher spatio-temporal resolutions, and near-continuously at a range of wavelengths, it becomes critical to develop the appropriate atomic data and physics tools to facilitate scientific progress. We recommend the continued improvement and expansion of current databases to support the development of optically-thick/radiative transfer models, evaluate non-thermal and non-equilibrium ionization effects, and quantify uncertainties in atomic and molecular values. A critical longterm goal will require extending and strengthening collaborations across the atomic, solar/heliospheric, and laboratory plasma physics communities through the participation and training of early career scientists. We also recommend establishing funding for a centralized atomic physics resource made up of a comprehensive and user-oriented atomic database and modeling framework.
Data from a pure nitrogen test series in the Electric Arc Shock Tube Facility were previously reported for velocities spanning 6-12 km/s at a free-stream pressure of 0.2 Torr. This test series provides validation data for a range of physical phenomena to investigate, including vibrational relaxation, molecular radiation, nitrogen dissociation and ionization, and atomic radiation and ionization. This paper details analysis of data obtained at a nominal velocity of 10.3 km/s. The spectra are analyzed to extract temperatures and the densities of excited states as a function of position behind the shock. The effect of different methods for calculating state populations and ionization processes is assessed, as is a rigorous assessment of the atomic line lists, with both missing and extra lines identified.