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  • 1
    Electronic Resource
    Electronic Resource
    On the size-dependence of the static self-energy in propagator calculations (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 3578-3588 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Various approximations are used currently to evaluate the static part Σ(∞) of the self-energy or optical potential in molecular Green's function calculations. Since its expansion is ruled out by the linked-cluster theorem, one generally assumes a size-intensive behavior of Σ(∞) in the thermodynamic limit of an infinite system. A detailed analysis of this size-dependence property is conducted using the formulation of crystalline orbitals (CO) for stereoregular polymers. In spite of the linked-cluster theorem, this study provides evidence for a logarithmic divergence with respect to the size of a chain for some forms of Σ(∞), computed with common approximation schemes. This is the direct outcome of the long-range character of the Coulombic interaction and can be related to a violation in the number of particles within the system. A proper size-intensive behavior implies an exact cancellation of the logarithmically divergent behavior of antigraphs. The conclusions drawn from CO analysis are confirmed by numerical tests on model oligomer systems. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470241
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  • 2
    Electronic Resource
    Electronic Resource
    Evidence for a partial breakdown of the molecular orbital picture in the ionization spectra of large saturated hydrocarbons (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 7583-7596 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The x-ray photoionization spectra of large saturated hydrocarbons have been investigated by means of one-particle Green's function calculations. These spectra saturate overall rather quickly to their asymptotic form with increasing system size. The results obtained indicate a severe breakdown of the molecular orbital picture of ionization above a binding energy threshold of about 23 eV, for n-alkane chains ranging from n-propane to n-nonane, or cycloalkane compounds such as cyclobutane, cyclopentane, and cyclohexane. In spite of the fast multiplication of satellite solutions, shake-up lines remain confined above that threshold, as a result of the delocalization properties of one-electron canonical states. The ring closure is shown to emphasize the dispersion of photoionization intensity into satellites. Conformational changes, on the other hand, have only marginal effects on the convoluted correlation bands. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.472585
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  • 3
    Electronic Resource
    Electronic Resource
    Investigating the sensitivity of the Atmospheric General Circulation Model ECHAM 3 to paleoclimatic boundary conditions (1996)
    Springer
    International journal of earth sciences 85 (1996), S. 513-524 
    Details
    ISSN: 1437-3262
    Keywords: Atmospheric response ; General circulation models ; Glacial maximum ; Milankovitch Theory ; Paleoclimate ; Climate optimum ; Glacial inception
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract We present atmospheric simulations of three different time slices of the late Quaternary using the ECHAM 3 general circulation model in T42 resolution. In this work we describe the results of model runs for the time slices 6000 years BP (last climate optimum), 21 000 BP (last glacial maximum) and 115 000 years BP (glacial inception). Although the solar insolation is known for all time slices, a complete data set of the other boundary conditions which are necessary for running the atmospheric model exists only for the last glacial maximum in the form of the CLIMAP reconstruction. For the other two time slices, which are interglacial states like the modern climate, sea surface temperatures, land albedo and ice sheet topography are kept at modern values and only the solar insolation is changed appropriately. The response of the model to solar insolation changes is quite reasonable. The modelled anomalies are small and roughly opposite in sign for 6000 BP and 115 000 BP, respectively. In the case of last glacial maximum, the glacial ice sheet topography and ice albedo produce a much larger climate anomaly in the model. However, to enable a real test of model performance under glacial boundary conditions, the CLIMAP sea surface temperatures, which are now known to be partly inaccurate, should be replaced by an updated “state-of-the-art” reconstruction.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02369006
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  • 4
    Electronic Resource
    Electronic Resource
    Investigating the sensitivity of the Atmospheric General Circulation Model ECHAM 3 to paleoclimatic boundary conditions (1996)
    Springer
    Geologische Rundschau 85 (1996), S. 513-524 
    Details
    ISSN: 0016-7835
    Keywords: Key words Atmospheric response ; General circulation models ; Glacial maximum ; Milankovitch Theory ; Paleoclimate ; Climate optimum ; Glacial inception
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract  We present atmospheric simulations of three different time slices of the late Quaternary using the ECHAM 3 general circulation model in T42 resolution. In this work we describe the results of model runs for the time slices 6000 years BP (last climate optimum), 21 000 BP (last glacial maximum) and 115 000 years BP (glacial inception). Although the solar insolation is known for all time slices, a complete data set of the other boundary conditions which are necessary for running the atmospheric model exists only for the last glacial maximum in the form of the CLIMAP reconstruction. For the other two time slices, which are interglacial states like the modern climate, sea surface temperatures, land albedo and ice sheet topography are kept at modern values and only the solar insolation is changed appropriately. The response of the model to solar insolation changes is quite reasonable. The modelled anomalies are small and roughly opposite in sign for 6000 BP and 115 000 BP, respectively. In the case of last glacial maximum, the glacial ice sheet topography and ice albedo produce a much larger climate anomaly in the model. However, to enable a real test of model performance under glacial boundary conditions, the CLIMAP sea surface temperatures, which are now known to be partly inaccurate, should be replaced by an updated "state-of-the-art" reconstruction.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s005310050092
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  • 5
    Electronic Resource
    Electronic Resource
    Three Years' Experience with a Patient Data Management System at a Neonatal Intensive Care Unit (1998)
    Springer
    Journal of clinical monitoring and computing 14 (1998), S. 119-125 
    Details
    ISSN: 1573-2614
    Keywords: Newborn infants ; intensive care ; computer applications ; patient data management system
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Medicine
    Notes: Abstract We report about our experience with the patient data management system (PDMS) Hewlett Packard CareVue 9000 at two neonatal ICUs. We describe our PDMS configuration (hard- and software), local adjustments and enhancements such as knowledge based systems for calculating the parenteral nutrition of newborn infants (VIE-PNN), for advising medication (VIE-Nmed), and for managing mechanical ventilation (VIE-VENT), and the results of a structured interview with our staff members about the acceptance of the system. Despite some criticism nearly all collaborators liked the system, especially because of its time saving automated documentation of vital data and mechanical ventilation parameters. More than 2/3 preferred the computer assisted documentation to charting by hand, only 1/41 would have liked to return to paper documentation. All staff members possessed excellent (15/39) or good (24/39) knowledge of the system. Main points of critique were the system's therapy planning facilities (medication administration records), the restrictive facilities for documenting patient care and the yet unsolved problems of data evaluation and export. PDM systems have to be constantly adapted to the user's needs and to the changing clinical environment. Living with the system asks for an intensive dialog with the system and its functionalities, for creativity and well defined ideas about the future system development.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007467831587
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  • 6
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    Investigating the sensitivity of the Atmospheric General Circulation Model ECHAM 3 to paleoclimatic boundary conditions (1996)
    Springer
    Details
    Publication Date: 1996-09-01
    Print ISSN: 0016-7835
    Electronic ISSN: 1432-1149
    Topics: Geosciences
    Published by Springer
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  • 7
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    Investigating the sensitivity of the Atmospheric General Circulation Model ECHAM 3 to paleoclimatic boundary conditions (1996)
    Springer
    Details
    Publication Date: 1996-09-16
    Print ISSN: 0016-7835
    Electronic ISSN: 1432-1149
    Topics: Geosciences
    Published by Springer
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