Library

feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • Atomic, Molecular and Optical Physics  (1)
  • Computational Chemistry and Molecular Modeling  (1)
  • Water quality modelling  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Water resources management 10 (1996), S. 219-240 
    ISSN: 1573-1650
    Keywords: Water quality modelling ; uncertainty analysis ; function analysis ; Monte Carlo method
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Geography
    Notes: Abstract To achieve effective environmental control, it is important to develop methodologies for dealing with uncertainties in model simulation of pollution behaviour and effects. Several procedures have been proposed to quantify uncertainties in modelling studies. This paper utilizes the two methods that are widely applied, i.e. functional analysis and Monte Carlo Simulation. The first-order part of the functional analysis method provides a measure of uncertainties in dependent variables in terms of uncertainties in independent variables. The procedure is based on first-order terms in the Taylor series expansion of the dependent variable about its mean value with respect to one or more independent variables. The major assumption in this procedure is that all independent and dependent variables are the second moment variables (SMV), which means that the behaviour of any SMV is completely described by its mean and standard deviation. The mathematical simplicity of the procedure allows application by simple input-output models. Consequently, it has been applied to many environmental simulators, e.g. hydrological models, stream water quality models, lake water quality models and ground water pollution models. The Monte Carlo Simulation (MCS) method uses a large number of repeated trials or simulations with the values for stochastic inputs or uncertain variables selected at random from their assumed parent probability distributions to establish an expected range of model uncertainty.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 1-8 
    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: The molecules of M2Se and M2I+ (M = Ag, Au) are used as test models to study the quality of the pseudopotential methodology when using the Hartree-Fock and second-order Møller-Plesset methods. We have used two implementations of the Wadt and Hay pseudopotentials: the new large- and small-core pseudopotentials (known as LANL 1DZ and LANL2DZ in GAUSSIAN-92) and the traditional one used for a long time. It is found that the optimum geometry depends on the type of pseudopotential selected. A comparison with the results computed when all the electrons are taken explicitly into account shows that the new LANL1DZ and LANL2DZ give the right answer. Using these potentials, the geometry and potential energy surface of the M2Se and M2I+ systems is explored and its optimum geometry found. © 1994 John Wiley & Sons, Inc.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...