Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
82 (1985), S. 1997-2001
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Basis set calculations of the energies and widths of several resonances in electron scattering by a one-dimensional model potential are carried out using real basis sets that are augmented with various choices for a long-range complex Gaussian-type function. The results show that neither the form of the complex basis function nor the behavior of the trial wave function near the origin are important for obtaining accurate results. In fact, excellent results are obtained with a modest basis set of real bound functions augmented with a single complex Gaussian orbital when the complex exponential parameter is chosen by a stationary condition and the calculation is stabilized with respect to the bound function exponential parameter.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.448383
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