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  • 1
    Electronic Resource
    Electronic Resource
    Explicit Galois resolvents for sextic equations (1987)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 31 (1987), S. 345-359 
    Details
    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: Several techniques for calculating the Galois resolvents of polynomial equations are discussed and implemented. In particular, the method of power sums, in conjunction with the symbolic algebra program muMATH, is used to derive a complete set of explicit algebraic resolvents for the general sextic equation. A simple example, drawn from the theory of crystal elasticity, illustrates the utility of these results in answering the question “When is a polynomial equation (with multinomial coefficients) solvable?”.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560310306
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    The computation of floating functions and their use in force constant calculations (1988)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 9 (1988), S. 75-79 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: It is shown how standard computer programs for calculating the equilibrium geometry of a molecule may be adapted to yield floating functions. These functions satisfy the Hellmann-Feynman theorem and so lead to simple electrostatic interpretations of intramolecular forces and vibrations. The theory is illustrated by detailed calculations for the water molecule.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540090110
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    Paper (German National Licenses)
    Fulltext
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