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  • 1
    Digitale Medien
    Digitale Medien
    The hydrogen atom in a cubic field of electric dipoles (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 663-681 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The full rotational symmetry of the hydrogen atom is lowered to that of the double group of Oh. This is done by a cubic field of electric dipoles. Symmetry-adapted spin orbitals have been calculated and with them the energies of the lowest states as functions of the distance from the dipoles to the atom, the dipole moment, and the size of the atoms forming the dipoles. The Hamiltonian used is obtained by starting with the Dirac equations and then making some simplifications and approximations.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560030512
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    A theory for the construction of the irreducible representations of finite groups. II (1973)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 1091-1097 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The restriction on a method for computing irreducible representations of finite groups, requiring that in the irreducible representation to be constructed, at least one group element has at least one nondegenerate eigenvalue, is removed. The method is thus shown to be applicable to an arbitrary finite group and constitutes a practical algorithm for handling groups of order less than 400.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560070606
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    A theory for the construction of the irreducible representations of finite groups (1972)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 6 (1972), S. 925-933 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: It is shown how the irreducible representations of a finite group can be calculated from the irreducible characters (the latter can be calculated exactly by using Dixon's method). All elements of the matrix, representing a group element, lie in the rational field of polynomials of ξ = exp (2πi/e), where e is the exponent of the group.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560060511
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