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  • LUNAR AND PLANETARY EXPLORATION  (21)
  • Atomic, Molecular and Optical Physics  (3)
  • Computational Chemistry and Molecular Modeling  (3)
  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 87-104 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A generalized non-muffin-tin band structure method is presented in the context of multiple scattering off of the Wigner-Seitz cell. This technique has the following desirable features: it is formally exact and rapidly convergent; it preserves the separation between the nondiagonal scattering matrix for the cell and the usual structure constants of KKR in the secular determinant; it produces an accurate representation of the wave function throughout the sphere bounding the Wigner-Seitz cell and hence is suitable for self-consistent field calculations and applications that require a detailed knowledge of the unperturbed crystal potential and wave functions. Various aspects of the application of this theory to the empty lattice and sodium are presented, and its limitations discussed. Some future lines of research are briefly reviewed.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 48 (1993), S. 363-375 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An approximate numerical method of solving the Generalized Master Equation for a many-body problem is presented, with examples of its application. This method involves the construction from the full Hamiltonian (of the system plus the “bath”) of a set of unitary Langevin equations that combine deterministic microcanonical, stochastic canonical (heat bath), and stochastic nonthermal dynamics in a single time-integration scheme. If implemented in a representation that captures the essential physics and repeatedly run from a given initial condition, this method evaluates stochastic representatives from the actual fiber bundle of system worldlines that flow from the initial condition and, hence, numerically evaluates the path integral. © 1993 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 803-804 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 4
    Publication Date: 2011-08-24
    Description: Laboratory spectra of the first overtone band (2.1480 microns, 4655.4 reciprocal cm) of solid nitrogen show additional structure at 2.1618 microns (4625.8 reciprocal cm) over a limited temperature range. The spectrum of Neptune's satellite Triton shows the nitrogen overtone band as well as the temperature-sensitive component. The temperature dependence of this band may be used in conjunction with ground-based observations of Triton as an independent means of determining the temperature of surface deposits of nitrogen ice. The surface temperature of Triton is found to be 38.0 +2.0 or -1.0 K, in agreement with previous temperature estimates and measurements. There is no spectral evidence for the presence of alpha-nitrogen on Triton's surface, indicating that there is less than 10 percent carbon monoxide in solid solution with the nitrogen on the surface.
    Keywords: LUNAR AND PLANETARY EXPLORATION
    Type: Science (ISSN 0036-8075); 261; 5122; p. 751-754.
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  • 5
    Publication Date: 2011-08-24
    Description: Observations of the 1.4- to 2.4-micrometer spectrum of Pluto reveal absorptions of carbon monoxide and nitrogen ices and confirm the presence of solid methane. Frozen nitrogen is more abundant than the other two ices by a factor of about 50; gaseous nitrogen must therefore be the major atmospheric constituent. The absence of carbon dioxide absorptions is one of several differences between the spectra of Pluto and Triton in this region. Both worlds carry information about the composition of the solar nebula and the processes by which icy planetesimals formed.
    Keywords: LUNAR AND PLANETARY EXPLORATION
    Type: Science (ISSN 0036-8075); 261; 5122; p. 745-748.
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  • 6
    Publication Date: 2011-08-24
    Description: The near-infrared spectrum of Triton reveals ices of nitrogen, methane, carbon monoxide, and carbon dioxide, of which nitrogen is the dominant component. Carbon dioxide ice may be spatially segregated from the other more volatile ices, covering about 10 percent of Triton's surface. The absence of ices of other hydrocarbons and nitriles challenges existing models of methane and nitrogen photochemistry on Triton.
    Keywords: LUNAR AND PLANETARY EXPLORATION
    Type: Science (ISSN 0036-8075); 261; 5122; p. 742-745.
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  • 7
    Publication Date: 2011-08-24
    Description: Recently Brown et al. (1991) showed that Triton's internal heat source could amount to 5-20% of the absorbed insolation on Triton, thus significantly affecting volatile transport and atmospheric pressure. Subsequently, Kirk and Brown (1991a) used simple analytical models of the effect of internal heat on the distribution of volatiles on Triton's surface, confirming the speculation of Brown et al. that Triton's internal heat flow could strongly couple to the surface volatile distribution. To further explore this idea, we present numerical models of the permanent distribution of nitrogen ice on Triton that include the effects of sunlight, the two-dimensional distribution of internal heat flow, the coupling of internal heat flow to the surface distribution of nitrogen ice, and the finite viscosity of nitrogen ice. From these models we conclude that: (1) The strong vertical thermal gradient induced in Triton's polar caps by internal heat-flow facilitates viscous spreading to lower latitudes, thus opposing the poleward transport of volatiles by sunlight, and, for plausible viscosities and nitrogen inventories, producing permanent caps of considerable latitudinal extent; (2) It is probable that there is a strong coupling between the surface distribution of nitrogen ice on Triton and internal heat flow; (3) Asymmetries in the spatial distribution of Triton's heat flow, possibly driven by large-scale, volcanic activity or convection in Triton's interior, can result in permanent polar caps of unequal latitudinal extent, including the case of only one permanent polar cap; (4) Melting at the base of a permanent polar cap on Triton caused by internal heat flow can significantly enhance viscous spreading, and, as an alternative to the solid-state greenhouse mechanism proposed by Brown et al. (1990), could provide the necessary energy, fluids, and/or gases to drive Triton's geyser-like plumes; (5) The atmospheric collapse predicted to occur on Triton in the next 20 years (Spencer, 1990) may be plausibly avoided because of the large latitudinal extent expected for permanent polar caps on Triton.
    Keywords: LUNAR AND PLANETARY EXPLORATION
    Type: Journal of Geophysical Research (ISSN 0148-0227); 99; E1; p. 1695-1981
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  • 8
    Publication Date: 2011-08-19
    Description: The location of active geyser-like eruptions and related features close to the current subsolar latitude on Triton suggests a solar energy source for these phenomena. Solid-state greenhouse calculations have shown that sunlight can generate substantially elevated subsurface temperatures. A variety of models for the storage of solar energy in a subgreenhouse layer and for the supply of gas and energy to a geyser are examined. 'Leaky greenhouse' models with only vertical gas transport are inconsistent with the observed upper limit on geyser radius of about 1.5 km. However, lateral transport of energy by gas flow in a porous N2 layer with a block size on the order of a meter can supply the required amount of gas to a source region about 1 km in radius. The decline of gas output to steady state may occur over a period comparable with the inferred active geyser lifetime of 5 earth years. The required subsurface permeability may be maintained by thermal fracturing of the residual N2 polar cap. A lower limit on geyser source radius of about 50 to 100 m predicted by a theory of negatively buoyant jets is not readily attained.
    Keywords: LUNAR AND PLANETARY EXPLORATION
    Type: Science (ISSN 0036-8075); 250; 424-429
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  • 9
    Publication Date: 2011-08-19
    Description: The orbital properties, surface compositions, opposition surges, masses, radii, and densities of the satellites of Uranus are presented. It is noted that the Uranian satellites are comparable in size to the largest of Saturn's icy satellites while density measurements suggest that the bulk compositions of Ariel and Umbriel might be different from those of Titania and Oberon. Consideration is given to the two satellites of Neptune and the question of a third satellite is addressed. The elements of Charon, determined from astrometric observations by photographic and speckle interferometric techniques, and then from eclipse observations, are given. The diurnal period of Pluto and its photometric lightcurve are discussed. The similarities and differences existing between the satellites of Uranus and Neptune and the Pluto-Charon pair are mentioned briefly.
    Keywords: LUNAR AND PLANETARY EXPLORATION
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  • 10
    Publication Date: 2011-08-19
    Description: Homogeneous and core-differentiated silicate/ice models of the Uranian satellites Miranda, Ariel, Umbriel, Titania, and Oberon are examined in the light of imaging observations and mass and density determinations obtained during the Voyager 2 encounter with Uranus in January 1986. The data and model predictions are compared in extensive tables and graphs and discussed in detail. The mass fractions of silicates in Oberon and Titania are found to be between 0.42 and 0.65, about the same as the average for the satellites of Jupiter and Saturn but significantly higher than that for the smaller Saturnian satellites or that predicted by current solar-nebula models. It is suggested that the satellites formed by accretion of material from their primary planets' outer envelopes. The observed rock/ice fractions are attributed to solar-nebula CO and solid-organics abundances and to preferential dissolution of H2O in outer-envelope planetesimals.
    Keywords: LUNAR AND PLANETARY EXPLORATION
    Type: Journal of Geophysical Research (ISSN 0148-0227); 92; 14884-14
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