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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 26 (1972), S. 351-356 
    ISSN: 1432-2234
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Es wird die Möglichkeit, Molekülorbitale mittels einer Mehrzentrenentwicklung von modulierten ebenen Wellen darzustellen, diskutiert. Alle Integrale, die in einer SCF-Rechnung üblichen Typs (z. B. CNDO) erscheinen, werden in einer einfach auszuwertenden analytischen Form angegeben.
    Notes: Abstract The possibility of representing molecular orbitals in terms of a many centre expansion of modulated plane waves is discussed. All integrals appearing in the usual SCF procedure for the calculation of the energy are obtained in an analytical form. The resulting formulae are rather simple to be evaluated.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Meccanica 7 (1972), S. 41-41 
    ISSN: 1572-9648
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Numerical algorithms 11 (1996), S. 285-309 
    ISSN: 1572-9265
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mathematics
    Notes: Abstract A bordering procedure is here proposed to evaluate the eigensystem of hermitian matrices, and more in general of normal matrices, when the spectral decomposition is known of then−1×n−1 principal minor. The procedure is also applicable to special real and nonsymmetric matrices here named quasi-symmetric. The computational cost to write the characteristic polynomial isO(n 2), using a new set of recursive formulas. A modified Brent algorithm is used to find the roots of the polynomial. The eigenvectors are evaluated in a direct way with a computational cost ofO(n 2) for each one. Some numerical considerations indicate where numerical difficulties may occur. Numerical results are given comparing this method with the Givens-Householder one.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Numerical algorithms 10 (1995), S. 155-165 
    ISSN: 1572-9265
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mathematics
    Notes: Abstract A special recursive algorithm is built by a three-term recursive formula with coefficients evaluated by the moments method. A new functionalc(·) is studied over any function space that contains the polynomial space and it is shown that such a functional is positive definite, enabling us to use the advantages of such a property on the zeros of orthogonal polynomials for such a functional. A comparison is presented of the numerical advantages of such a method with respect to the Laguerre polynomials.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Numerical algorithms 20 (1999), S. 197-215 
    ISSN: 1572-9265
    Keywords: interpolation of scattered data ; algorithms for functional minimization ; computer graphics and computational geometry ; 65D05 ; 65Y25 ; 65D15
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mathematics
    Notes: Abstract The paper deals with the description of a method and the accompanying software, the package LABSUP, for representing C 1 interpolating surfaces. The application to the lagoon of Venice's bed is also proposed. The surfaces are built over the Delaunay triangulation and the polynomial patches used for the representation can be chosen among the Q 18 element, the Clough-Tocher or the Powell–Sabin finite elements or simply using global Bézier methods. The first three patches require the knowledge of the gradients at the nodes, or at least a suitable estimation of them. Therefore, interesting in itself is the derivative estimation process based on the minimization of the energy functional associated with the interpolant. For the representation of the lagoon of Venice's bed we only used the reduced Clough-Tocher finite element, due to the high number of points involved for which one needs to compute the Delaunay triangulation, and simply the partial derivatives of first order. A brief description of the software modules together with some graphical results of parts of the lagoon of Venice's bed are also presented.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 27 (1998), S. 81-95 
    ISSN: 0271-2091
    Keywords: shallow waters ; Navier-Stokes ; lagoons ; projections ; parallel computations ; Engineering ; Numerical Methods and Modeling
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The dynamics of shallow water has been studied and an algorithm for this dynamics has been developed. Results have been obtained with data of the Venice lagoon using a model made expressively by a semi-implicit method based on a finite element method in space. Comparison has been made between field data and the results of the simulation. Very good agreement is shown over a long period of simulation. © 1998 John Wiley & Sons, Ltd.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 27 (1989), S. 103-112 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
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