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  • 32.60  (1)
  • Schrödinger equation  (1)
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  • 1
    Digitale Medien
    Digitale Medien
    Springer
    Theoretical chemistry accounts 81 (1991), S. 1-20 
    ISSN: 1432-2234
    Schlagwort(e): Dimensional scaling ; Quantum theory ; Schrödinger equation ; Many-body problem
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary A growing repertoire of electronic structure methods employ the spatial dimensionD as an interpolation or scaling parameter. It is advantageous to transform the Schrödinger equation to remove all dependence onD from the Jacobian volume element and the Laplacian operator; this introduces a centrifugal term, quadratic inD, that augments the effective potential. Here we explicitly formulate this procedure forS states of an arbitrary many-particle system, in two variants. One version reduces the Laplacian to a quasicartesian form, and is particularly suited to evaluating the exactly solvableD → ∞ limit and perturbation expansions about this limit. The other version casts the Jacobian and Laplacian into the familiar forms forD=3, and is particularly suited to calculations employing conventional Rayleigh-Ritz variational methods.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 2
    Digitale Medien
    Digitale Medien
    Springer
    The European physical journal 24 (1992), S. 25-31 
    ISSN: 1434-6079
    Schlagwort(e): 32.10.Cs ; 32.60 ; 35.20
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract Strong magnetic fields can hybridize low rotational states of paramagnetic molecules or molecular ions whose electronic angular momentum is coupled to the molecular axis. The hybridization creates pendular states in which the molecular axis is confined to librate over a limited angular range about the field direction. In this way substantial spatial alignment associated with large Zeeman shifts can be attained for many ground-state radicals or ions and electronically excited states of diatomic or linear molecules. The magnetic hybridization is analogous to that recently demonstrated for polar molecules in electric fields. The magnetic version can only provide ensemble alignment rather than orientation, but offers complementary chemical scope by virtue of its applicability to nonpolar molecules and ions.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
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