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  • Atomic, Molecular and Optical Physics  (1)
  • ATOMIC AND MOLECULAR PHYSICS
  • 2010-2014
  • 1975-1979  (1)
  • 1950-1954
  • 1977  (1)
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Keywords
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  • 2010-2014
  • 1975-1979  (1)
  • 1950-1954
Year
  • 1
    Electronic Resource
    Electronic Resource
    Perturbation theory within the variation methodAspects of the variation method 2. (1977)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 881-884 
    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: Some of Moccia's formulas (Int. J. Quant. Chem. 8, 293 (1974)) for corrections to “not completely optimized variational parameters” are compared with those resulting from a perturbation theory analysis. It is not possible to choose the zero-order Hamiltonian (at least not in any simple way) so as to get exact agreement, but one choice does come close.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560110514
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