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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 101 (1999), S. 257-261 
    ISSN: 1432-2234
    Keywords: Key words: Gallium fluoride ; Ionization ; Semi-core electrons ; Near-degeneracy ; Size-consistency ; Coupled pair approximation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract. Coupled pair approximation and configuration interaction calculations were carried out on the gallium fluoride molecule and its positive ion with flexible basis sets. Spectroscopic constants of these species were examined in detail through step-wise extensions of correlating space. The contribution from correlations of the semi-core 3d electrons in Ga was found to be sizable. The bonding character was revealed to be highly ionic even for the positive ion.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 101 (1999), S. 292-296 
    ISSN: 1432-2234
    Keywords: Key words: Gallium nitride ; Semi-core electrons ; Near degeneracy ; Size consistency ; Multi-reference coupled pair approximation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract. Fourth-order multi-reference coupled pair approximation (MRCPA-4) calculations were performed to predict spectroscopic constants of the gallium nitride (GaN) diatomic molecule. The calculations showed that the ground state is 3Σ− but that the 3Π state is low lying and separated from the former by 0.5 eV. The contribution of the correlations among the Ga 3d semi-core electrons was found to be crucial for a quantitative description of the molecule.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1573-868X
    Keywords: Density current ; continental slope ; Ekman transport ; surface pressure gradient force ; deep water formation ; Antarctic Ocean
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract Numerical experiments with a two-dimensional nonhydrostatic ocean model have been carried out to investigate the dynamical process of descending density current on a continental slope. The associated deep water formation has been also examined by tracking labeled particles. The descending flow along the continental slope occurs in the bottom Ekman layer. The net pressure gradient determining the volume transport consists of not only the pressure gradient due to density deviation but also the surface pressure gradient due to the depth-mean alongshore flow. Since these constituents have the opposite signs and strengthen each other, the oscillation with an alternation of intense up- and downslope flows appears around the shelf break. This temporal variation of the flow field causes the effective mixing on the slope between descending shelf and interior waters and forms the deep water as a mixture of them at a ratio of about 1:3. The present result is applied to the slope current around Antarctica, using velocity and density fields calculated by an ocean general circulation model. The Ekman volume transport is estimated at 0.97 Sv (1 Sv = 106 m3s−1) in the Weddell Sea, 0.35 Sv in the Ross Sea, and 1.8 Sv in total. About 70% of them is attributed to the depth-mean alongshore flow, such as the East Wind Drift and the Weddell Gyre driven by the wind. This suggests that the pressure gradient due to other factors than density deviation may play an important role in the deep and bottom water formation in the actual oceans.
    Type of Medium: Electronic Resource
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