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  • Articles: DFG German National Licenses  (2)
  • 1990-1994  (2)
  • 36.40.+d  (1)
  • 65H10  (1)
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  • Articles: DFG German National Licenses  (2)
Material
Years
  • 1990-1994  (2)
Year
Keywords
  • 1
    Electronic Resource
    Electronic Resource
    Truncated nonlinear ABS algorithm and its convergence property (1990)
    Springer
    Computing 45 (1990), S. 169-173 
    Details
    ISSN: 1436-5057
    Keywords: 65H10 ; Inexact Newton method ; nonlinear ABS algorithm
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science
    Description / Table of Contents: Zusammenfassung Diese Arbeit zeigt, daß der nichtlineare ABS-Algorithmus [1] als unexakte Newton-Methode [3] angesehen werden kann. Aus dieser Sicht wird der abgeschnittene nichtlineare ABS-Algorithmus hergeleitet und seine Konvergenzeigenschaft diskutiert.
    Notes: Abstract This paper shows that the nonlinear ABS algorithm [1] can be viewed as inexact Newton method [3]. From this point of view, the truncated nonlinear ABS algorithm is established and its convergence property is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02247882
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Ab initio potential energy surface for Ar 3 + (1993)
    Springer
    The European physical journal 25 (1993), S. 239-246 
    Details
    ISSN: 1434-6079
    Keywords: 31.20.Di ; 33.80.Gj ; 36.40.+d
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The potential energy surface (PES) of linear Ar 3 + is calculated at the MP4/6-31G* level including all single, double, triple and quadruple excitations. The results show that the PES of the linear Ar 3 + has a very flat valley along the asymmetric stretching vibration normal mode, ν3. A higher level quadratic configuration interaction calculation including single, double and triple substitutions QCISD (T) along this flat valley suggests that an asymmetric geometry energy minimum reported earlier based on MP2 [1] is due to symmetry breaking in UHF. The global minimum of the PES is found to be for the symmetric geometry atR ab =R bc =2.66±0.01 Å, which is in good agreement with the MRD-CI calculation [2] and expectations from our earlier photodissociation experiments [3]. The calculational results are compared with other theoretical calculations, and are discussed in the context of the photodissociation and dynamics of dissociation experiments conducted on Ar 3 + .
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01426886
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    Paper (German National Licenses)
    Fulltext
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