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Some convergence aspects of the one-center expansion methods (1994)

Bouferguene, A. ; Fares, M.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 51 (1994), S. 345-356

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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: Among the methods that may be used to carry out multicenter integrals over STOS, the one-center two-range expansion is probably the oldest one. However, the convergence of the leading series is generally slow and, hence, time-consuming. Therefore, it was the aim of the present work to show that the so-called nonlinear sequence transformations may be of substantial help for improving the rate of convergence of such series. © 1994 John Wiley & Sons, Inc.

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560510603

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